Sugi Predict

Sugi Predict / Compounds / SCHEMBL9219007

SCHEMBL9219007

SCHEMBL9219007

CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(NC(=O)CCc3ccc(NC(=O)c4ccccc4)cc3)CC[C@@H]12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.51
▸ KCNH2 Q12809 4/20 0.46
▸ SRD5A2 P31213 2/20 0.46
▸ 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
SCHEMBL9546689 0.92 AR (0.49) ARKCNH2SRD5A2SRD5A1
SCHEMBL14223683 0.87 AR (0.57) ARKCNH2SRD5A2
SCHEMBL2640154 0.86 AR (0.56) ARKCNH2SRD5A2
SCHEMBL4800068 0.86 AR (0.56) ARKCNH2SRD5A2
SCHEMBL2638740 0.86 AR (0.56) ARKCNH2SRD5A2
SCHEMBL4799349 0.86 AR (0.56) ARKCNH2SRD5A2
SCHEMBL8909725 0.86 AR (0.64) ARKCNH2SRD5A2
SCHEMBL8902471 0.86 SRD5A1 (0.53) SRD5A2SRD5A1
SCHEMBL15121475 0.86 AR (0.56) ARKCNH2SRD5A2SRD5A1
SCHEMBL14184821 0.86 AR (0.56) ARKCNH2SRD5A2SRD5A1

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-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
WO-1993023038-A1 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO claimed