SCHEMBL7752984

SCHEMBL7752984

O=C(c1ccc(OCCN2CCCCCC2)cc1)c1c(-c2ccc(Cl)cc2)sc2cc(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 1.00
ESR2 Q92731 19/20 0.98
MEN1 O00255 2/20 0.89
ALDH1A1 P00352 2/20 0.89
LMNA P02545 2/20 0.89
TP53 P04637 2/20 0.89
CYP3A4 P08684 2/20 0.89
MAPT P10636 2/20 0.89
ALOX15 P16050 2/20 0.89
KMT2A Q03164 2/20 0.89
HSD17B10 Q99714 2/20 0.89
TDP1 Q9NUW8 2/20 0.89
PLD2 O14939 1/20 0.89
KDM1A O60341 1/20 0.89
NR1I2 O75469 1/20 0.89
USP2 O75604 1/20 0.89
C5 P01031 1/20 0.89
FYN P06241 1/20 0.89
PGR P06401 1/20 0.89
ADRA2A P08913 1/20 0.89

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
SCHEMBL6838523 1.00 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL9200978 0.99 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL1394941 0.94 ESR1 (0.96) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL9145135 0.94 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL29362592 0.94 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL6144 0.94 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL3162158 0.94 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL5821250 0.94 ESR1 (1.00) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL6595498 0.94 ESR1 (0.98) ESR1ESR2MEN1ALDH1A1LMNA
Raloxifene SCHEMBL2496226 0.94 ESR1 (0.90) ESR1ESR2MEN1ALDH1A1LMNA

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 16 patents. 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
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
US-6313128-B1 CAN BE USED AS LYPOLYSIS/LYPOGENESIS REGULATORS IN THE SKIN WITHOUT, INTERFERRING WITH THE SKIN'S NATURAL FUNCTIONS; FOR THERAPY OF SABORRHEA AND ACNE SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
US-6114336-A Cosmetic composition containing a neuropeptide Y receptor antagonist SANOFI (FR) 2000-09-05 US disclosed