SCHEMBL9216217

SCHEMBL9216217

C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC2(O)C#N

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.52
SRD5A1 P18405 3/20 0.51
SHBG P04278 1/20 0.49
AR P10275 1/20 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
SCHEMBL9216224 1.00 SRD5A2 (0.52) SRD5A2SRD5A1SHBGAR
SCHEMBL6701113 0.83 SRD5A2 (0.47) SRD5A2SRD5A1SHBGAR
SCHEMBL9066308 0.82 SRD5A2 (0.46) SRD5A2SRD5A1SHBGAR
SCHEMBL6700170 0.81 SRD5A2 (0.46) SRD5A2SRD5A1SHBGAR
SCHEMBL5906990 0.79 SRD5A2 (0.56) SRD5A2SRD5A1SHBGAR
SCHEMBL9307504 0.77 SRD5A2 (0.48) SRD5A2SRD5A1SHBGAR
SCHEMBL9066006 0.76 SRD5A1 (0.51) SRD5A2SRD5A1AR
SCHEMBL8092552 0.76 SRD5A2 (0.57) SRD5A2SRD5A1AR
SCHEMBL8092554 0.76 SRD5A2 (0.57) SRD5A2SRD5A1AR
SCHEMBL9066010 0.76 SRD5A1 (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468012-B1 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1995-09-20 EP disclosed
US-5155107-A Inhibiting androgen action, anticarcinogenic agents, treating skin disorders, baldness FARMITALIA CARLO ERBA (IT) 1992-10-13 US disclosed
EP-0468012-A1 17-g(b)-SUBSTITUTED-4-AZA-5-g(a)-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-01-29 EP disclosed
WO-1991012261-A1 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1991-08-22 WO disclosed