SCHEMBL8072445

SCHEMBL8072445

CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)NC(c3ccccc3)(C(F)(F)F)C(F)(F)F)=CC[C@@H]12

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.48
SRD5A2 P31213 3/20 0.48

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
SCHEMBL8072441 1.00 SRD5A1 (0.48) SRD5A1SRD5A2
SCHEMBL8064137 0.91 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL8064141 0.91 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL8063945 0.83 SRD5A2 (0.51) SRD5A1SRD5A2
SCHEMBL8063950 0.83 SRD5A2 (0.51) SRD5A1SRD5A2
SCHEMBL8064356 0.82 SRD5A2 (0.62) SRD5A1SRD5A2
SCHEMBL8064358 0.82 SRD5A2 (0.62) SRD5A1SRD5A2
SCHEMBL9211560 0.80 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL9211563 0.80 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL7531946 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902790-B1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN SPA (IT) 2000-08-16 EP claimed
EP-0902790-B1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN SPA (IT) 2000-08-16 EP disclosed
EP-0902790-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.p.A. (IT) 1999-03-24 EP disclosed
WO-1997040062-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.P.A. (IT) 1997-10-30 WO disclosed