SCHEMBL8777112

SCHEMBL8777112

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

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 15/20 0.69
SRD5A2 P31213 10/20 0.69
LMNA P02545 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
ABCC4 O15439 1/20 0.69
ABCB11 O95342 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
CHRM1 P11229 1/20 0.69
HSD3B1 P14060 1/20 0.69
NFKB1 P19838 1/20 0.69
MAPK1 P28482 1/20 0.69
THPO P40225 1/20 0.69
BLM P54132 1/20 0.69

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
SCHEMBL8777109 1.00 SRD5A1 (0.69) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8777113 0.94 SRD5A1 (0.70) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8777111 0.94 SRD5A1 (0.70) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8777122 0.94 SRD5A1 (0.70) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8793963 0.89 SRD5A1 (0.68) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8793969 0.89 SRD5A1 (0.68) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8795142 0.89 SRD5A1 (0.68) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8777107 0.88 SRD5A1 (0.72) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8777104 0.88 SRD5A1 (0.72) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8777125 0.88 SRD5A1 (0.72) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611374-B1 17-BETA-SUBSTITUTED 4-AZA-5-ALPHA-ANDROSTAN-3-ONE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 1997-10-22 EP claimed
US-5418238-A 17β-substituted 4-aza-5α-androstan-3-one derivatives FARMITALIA CARLO ERBA S.R.L. (IT) 1995-05-23 US claimed
EP-0611374-B1 17-BETA-SUBSTITUTED 4-AZA-5-ALPHA-ANDROSTAN-3-ONE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 1997-10-22 EP disclosed
US-5418238-A 17β-substituted 4-aza-5α-androstan-3-one derivatives FARMITALIA CARLO ERBA S.R.L. (IT) 1995-05-23 US disclosed