SCHEMBL7517801

SCHEMBL7517801

Cc1ccc(C(C)(NC(=O)C2CC[C@H]3[C@@H]4CCC5NC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.62
SRD5A1 P18405 5/20 0.62
AR P10275 1/20 0.60
LMNA P02545 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
HSD3B1 P14060 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
THPO P40225 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL7517794 1.00 SRD5A2 (0.62) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL7520659 0.92 SRD5A2 (0.72) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL7520654 0.92 SRD5A2 (0.72) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL7521406 0.91 SRD5A2 (0.62) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL7521398 0.91 SRD5A2 (0.62) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL7520592 0.84 SRD5A1 (0.86) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL7520589 0.84 SRD5A1 (0.86) SRD5A2SRD5A1LMNACYP3A4CYP2C9
SCHEMBL7524913 0.83 SRD5A2 (0.72) SRD5A2SRD5A1AR
SCHEMBL7524919 0.83 SRD5A2 (0.72) SRD5A2SRD5A1AR
SCHEMBL5699657 0.82 SRD5A2 (0.68) SRD5A2SRD5A1ARLMNACYP3A4

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 6 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-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