SCHEMBL7524913

SCHEMBL7524913

C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)NC(c3ccccc3)(C(F)(F)F)C(F)(F)F)CC[C@@H]12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.72
SRD5A1 P18405 5/20 0.72
AR P10275 1/20 0.70

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
SCHEMBL7524919 1.00 SRD5A2 (0.72) SRD5A2SRD5A1AR
SCHEMBL7521406 0.92 SRD5A2 (0.62) SRD5A2SRD5A1AR
SCHEMBL7521398 0.92 SRD5A2 (0.62) SRD5A2SRD5A1AR
SCHEMBL8377383 0.92 SRD5A1 (0.88) SRD5A2SRD5A1AR
SCHEMBL7520654 0.90 SRD5A2 (0.72) SRD5A2SRD5A1AR
SCHEMBL7520659 0.90 SRD5A2 (0.72) SRD5A2SRD5A1AR
SCHEMBL9022009 0.88 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL9022005 0.88 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL9022155 0.88 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL9022150 0.88 SRD5A2 (0.73) SRD5A2SRD5A1AR

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 10 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-0902790-B1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN SPA (IT) 2000-08-16 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
EP-0902790-B1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN SPA (IT) 2000-08-16 EP disclosed
EP-0970105-A1 PROCESS FOR PREPARING CARBOXAMIDO-4-AZASTEROIDS PHARMACIA & UPJOHN S.p.A. (IT) 2000-01-12 EP disclosed
WO-1999035161-A1 PROCESS FOR PREPARING CARBOXAMIDO-4-AZASTEROIDS PHARMACIA & UPJOHN SPA (IT) 1999-07-15 WO disclosed