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Sugi Predict / Compounds / SCHEMBL8498403

SCHEMBL8498403

SCHEMBL8498403

CC(=O)Nc1cccc(C(=O)NC(C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.51
▸ SRD5A2 P31213 1/20 0.51
▸ KCNH2 Q12809 5/20 0.47
▸ SRD5A1 P18405 1/20 0.44

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
SCHEMBL8498406 1.00 AR (0.51) ARSRD5A2KCNH2SRD5A1
SCHEMBL8499209 0.85 SRD5A1 (0.50) SRD5A2SRD5A1
SCHEMBL8499205 0.85 SRD5A1 (0.50) SRD5A2SRD5A1
SCHEMBL8496389 0.84 AR (0.57) ARSRD5A2KCNH2
SCHEMBL8496384 0.84 AR (0.57) ARSRD5A2KCNH2
SCHEMBL8077679 0.84 AR (0.57) ARSRD5A2KCNH2SRD5A1
SCHEMBL8079140 0.80 AR (0.63) ARSRD5A2KCNH2
SCHEMBL8079142 0.80 AR (0.63) ARSRD5A2KCNH2
SCHEMBL2641230 0.79 AR (0.55) ARSRD5A2KCNH2SRD5A1
SCHEMBL14184877 0.79 AR (0.55) ARSRD5A2KCNH2SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649431-B1 17-AMINO SUBSTITUTED 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 1999-08-11 — — EP claimed
US-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 — — US claimed
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO claimed