SCHEMBL3870779

SCHEMBL3870779

COc1ccc2c(c1)CCC(c1ccccc1)=C2C(=O)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.80
ESR2 Q92731 10/20 0.80
EBP Q15125 1/20 0.70
SIGMAR1 Q99720 1/20 0.70
LTA4H P09960 1/20 0.56
MCHR1 Q99705 1/20 0.52
PSMB1 P20618 1/20 0.51
PSMB5 P28074 1/20 0.51
PSMB2 P49721 1/20 0.51
HRH3 Q9Y5N1 2/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
DRD2 P14416 1/20 0.48
KCNA5 P22460 1/20 0.48
DRD3 P35462 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3870510 0.99 ESR1 (0.82) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL11185809 0.99 ESR1 (0.82) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL11186217 0.94 ESR1 (0.77) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL7110414 0.94 ESR1 (0.71) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL3863139 0.94 ESR1 (0.78) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL13897604 0.94 ESR1 (0.78) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL7105763 0.93 ESR1 (0.72) ESR1ESR2EBPSIGMAR1LTA4H
Hydrochloric Acid SCHEMBL7153807 0.92 ESR1 (0.71) ESR1ESR2EBPSIGMAR1LTA4H
SCHEMBL11185845 0.92 ESR1 (0.69) ESR1ESR2EBPSIGMAR1BCHE
SCHEMBL11184215 0.92 ESR1 (0.79) ESR1ESR2EBPSIGMAR1LTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127440-A1 Methods and compositions for control of bone formation via modulation of neuropeptide Y activity BAYLOR COLLEGE OF MEDICINE 2004-07-01 US claimed
US-20040053864-A1 Methods and compositions for control of bone formation via modulation of neuropeptide y activity BAYLOR COLLEGE OF MEDICINE 2004-03-18 US claimed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP claimed
EP-0735821-A4 METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES LILLY CO ELI (US) 1998-04-01 EP claimed
EP-0736007-A4 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-03-19 EP claimed
EP-0736007-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-09 EP claimed
EP-0735821-A1 METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES ELI LILLY AND COMPANY (US) 1996-10-09 EP claimed
EP-0716854-A2 Compositions for inhibiting neuropeptide y receptors ELI LILLY AND COMPANY (US) 1996-06-19 EP claimed
US-5514675-A ADMINISTERING TO TREAT ASTHMA, RHINITIS, AND PAIN; ANTISHOCK AND HYPOTENSIVE AGENTS ELI LILLY AND COMPANY (US) 1996-05-07 US claimed
WO-1996012489-A1 BICYCLIC NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-05-02 WO claimed
WO-1996012488-A1 BICYCLIC BRADYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-05-02 WO claimed
EP-0709090-A2 Compositions for treating resistant tumors ELI LILLY AND COMPANY (US) 1996-05-01 EP claimed
WO-1996011677-A1 METHODS FOR TREATING RESISTANT TUMORS ELI LILLY AND COMPANY (US) 1996-04-25 WO claimed
EP-0707852-A2 Bicyclic bradykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-04-24 EP claimed
US-5491140-A ADMINISTERING TO A MAMMAL SUFFERING FROM NERVOUS SYSTEM DISORDERS, RESPIRATORY SYSTEM DISORDERS, UROGENITAL DISORDERS ARTHRITIS, RHEUMATOID, OSTEOPROSIS, PERSISTENT PAIN, MIGRAIN OR POST-OPERATIVE PAIN ELI LILLY AND COMPANY (US) 1996-02-13 US claimed
WO-1995017095-A1 METHODS FOR THE TREATMENT OR PREVENTION OF CONDITIONS ASSOCIATED WITH AMYLOIDOGENIC REPTIDES ELI LILLY AND COMPANY (US) 1995-06-29 WO claimed
WO-1995017382-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1995-06-29 WO claimed
US-7501441-B1 Naphthyl compounds, intermediates, processes, compositions, and methods ELI LILLY AND COMPANY (US) 2009-03-10 US disclosed
US-4323707-A USEFUL FOR AMIMALS, AROYL-PHENYL-NAPHTHALENES OR DIHYDRONAPHTHALENES ELI LILLY AND COMPANY (US) 1982-04-06 US disclosed
US-4230862-A 3-PHENYL-4-AROYL-1,2-DIHYDRONAPHTHALENES AND 1-ARYOYL-2-PHENYLNAPHTHALENES ELI LILLY AND COMPANY (US) 1980-10-28 US disclosed