Sugi Predict

Sugi Predict / Compounds / SCHEMBL8499238

SCHEMBL8499238

SCHEMBL8499238

CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(CNC(=O)Cc3c[nH]c4ccccc34)CC[C@@H]12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.51
▸ SRD5A2 P31213 1/20 0.47
▸ KCNH2 Q12809 5/20 0.46

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
SCHEMBL8499232 1.00 AR (0.51) ARSRD5A2KCNH2
SCHEMBL8498013 0.92 AR (0.50) ARSRD5A2KCNH2
SCHEMBL8498007 0.92 AR (0.50) ARSRD5A2KCNH2
SCHEMBL8498318 0.86 SRD5A1 (0.49) SRD5A2
SCHEMBL8498321 0.86 SRD5A1 (0.49) SRD5A2
SCHEMBL8496579 0.82 AR (0.55) ARSRD5A2KCNH2
SCHEMBL8499500 0.81 AR (0.54) ARSRD5A2KCNH2
SCHEMBL8496662 0.81 AR (0.63) ARSRD5A2KCNH2
SCHEMBL8902643 0.81 AR (0.56) ARSRD5A2KCNH2
SCHEMBL8496405 0.81 AR (0.56) ARSRD5A2KCNH2

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-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
EP-0649431-A4 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. — 1995-05-03 — — EP claimed
EP-0649431-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-04-26 — — EP claimed