SCHEMBL7519255

SCHEMBL7519255

CC(NC(=O)C1CC[C@H]2[C@@H]3CCC4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C)(c1ccccc1)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 19/20 1.00
SRD5A2 P31213 8/20 1.00
LMNA P02545 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
ABCC4 O15439 1/20 0.73
ABCB11 O95342 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CHRM1 P11229 1/20 0.73
HSD3B1 P14060 1/20 0.73
NFKB1 P19838 1/20 0.73
MAPK1 P28482 1/20 0.73
THPO P40225 1/20 0.73
BLM P54132 1/20 0.73

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
SCHEMBL2641280 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL2641279 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL2639525 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7520592 0.93 SRD5A1 (0.86) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7520589 0.93 SRD5A1 (0.86) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7523351 0.91 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8794553 0.91 SRD5A1 (0.85) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8794566 0.91 SRD5A1 (0.85) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7523345 0.91 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9022562 0.90 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970105-B1 PROCESS FOR PREPARING CARBOXAMIDO-4-AZASTEROIDS PHARMACIA & UPJOHN SPA (IT) 2002-02-27 EP claimed
EP-0970105-A1 PROCESS FOR PREPARING CARBOXAMIDO-4-AZASTEROIDS PHARMACIA & UPJOHN S.p.A. (IT) 2000-01-12 EP claimed
WO-1999035161-A1 PROCESS FOR PREPARING CARBOXAMIDO-4-AZASTEROIDS PHARMACIA & UPJOHN SPA (IT) 1999-07-15 WO claimed
EP-0607400-B1 Fluorinated 17-beta substituted-4-aza-5-alpha- andostran-3one derivatives. PHARMACIA & UPJOHN SPA (IT) 1997-11-05 EP claimed
WO-1994003475-A1 FLUORINATED 17β-SUBSTITUTED 4-AZA-5α-ANDROSTAN-3-ONE DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1994-02-17 WO claimed
EP-0970105-B1 PROCESS FOR PREPARING CARBOXAMIDO-4-AZASTEROIDS PHARMACIA & UPJOHN SPA (IT) 2002-02-27 EP disclosed
US-6284887-B1 PREPARING 17.BETA.-CARBOXAMIDO-4-AZASTEROIDS STARTING FROM THE CORRESPONDING 17.BETA.-CARBONYLIMIDAZOLE DERIVATIVES. PHARMACIA & UPJOHN SPA (IT) 2001-09-04 US disclosed
US-6121449-A Process for preparing carboxamido-4-azasteroids PHARMACIA & UPJOHN SPA (IT) 2000-09-19 US disclosed
EP-0607400-B1 Fluorinated 17-beta substituted-4-aza-5-alpha- andostran-3one derivatives. PHARMACIA & UPJOHN SPA (IT) 1997-11-05 EP disclosed
EP-0782582-A1 EPIMERS OF (22RS)-N-(1,1,1-TRIFLUORO-2-PHENYLPROP-2-YL)-3-OXO-4-AZA-5$g(a)-ANDROST-1-ENE-17$g(b)-CARBOXAMIDE PHARMACIA & UPJOHN S.p.A. (IT) 1997-07-09 EP disclosed
WO-1997004002-A1 EPIMERS OF (22RS)-N-(1,1,1-TRIFLUORO-2-PHENYLPROP-2-YL)-3-OXO-4-AZA-5α-ANDROST-1-ENE-17β-CARBOXAMIDE PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-06 WO disclosed
US-5407939-A Inhibitors of androgen action by means of testosterone 5alpha-reductase inhibition FARMITALIA CARLO ERBA S.R.L. (IT) 1995-04-18 US disclosed
WO-1994003475-A1 FLUORINATED 17β-SUBSTITUTED 4-AZA-5α-ANDROSTAN-3-ONE DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1994-02-17 WO disclosed