SCHEMBL4651995

SCHEMBL4651995

CCN(CC)CCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.65
ESR2 Q92731 12/20 0.65
CNR1 P21554 2/20 0.59
CNR2 P34972 1/20 0.59
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 2/20 0.53
ALOX15 P16050 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
PLD2 O14939 1/20 0.53
KDM1A O60341 1/20 0.53
NR1I2 O75469 1/20 0.53
USP2 O75604 1/20 0.53
C5 P01031 1/20 0.53
FYN P06241 1/20 0.53

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
SCHEMBL11547623 0.93 CNR2 (0.60) ESR1ESR2CNR1CNR2MEN1
SCHEMBL4650716 0.92 CNR2 (0.72) ESR1ESR2CNR1CNR2TDP1
SCHEMBL11550741 0.92 CNR2 (0.72) ESR1ESR2CNR1CNR2TDP1
SCHEMBL7621850 0.91 ESR1 (0.66) ESR1ESR2CNR1MEN1ALDH1A1
SCHEMBL4651840 0.90 ESR1 (0.67) ESR1ESR2CNR1CNR2MEN1
SCHEMBL11545740 0.90 ESR1 (0.67) ESR1ESR2CNR1CNR2MEN1
SCHEMBL7626623 0.89 ESR1 (0.65) ESR1ESR2CNR1MEN1ALDH1A1
SCHEMBL11555621 0.89 ESR1 (0.70) ESR1ESR2CNR1CNR2MEN1
SCHEMBL11730562 0.88 CNR1 (0.54) ESR1ESR2CNR1CNR2TDP1
SCHEMBL11673921 0.88 ESR1 (0.62) ESR1ESR2CNR1CNR2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0895781-A2 Use of benzofurans, benzothiophenes or indoles for the manufacture of a medicament for the treatment of conditions associated with an excess of tachykinins ELI LILLY AND COMPANY (US) 1999-02-10 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-0820769-A2 Use of benzothiophenes for the manufacture of a medicament for the treatment of diseases associated with an excess of tachykinis ELI LILLY AND COMPANY (US) 1998-01-28 EP claimed
US-5663192-A PSYCHOLOGICAL DISORDERS USING INDOLE, BENZOTHIOPHENE OR BENZOFURANS WITH AMINO AND ALKOXYBENZOYL GROUPS ELI LILLY AND COMPANY (US) 1997-09-02 US 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
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
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
EP-1093803-B1 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI AVENTIS (FR) 2008-09-17 EP disclosed
WO-2007077333-A2 USE OF A NEUROPEPTIDE Y ANTAGONIST FOR DAMAGED OR SENSITIVE LIPS L'OREAL (FR) 2007-07-12 WO disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
EP-0838217-A2 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI (FR) 1998-04-29 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed