Sugi Predict

Sugi Predict / Compounds / SCHEMBL8496804

SCHEMBL8496804

SCHEMBL8496804

CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(CNC(=O)c3cccc(C(F)(F)F)c3)CC[C@@H]12

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.57
▸ KCNH2 Q12809 5/20 0.49
▸ SRD5A2 P31213 2/20 0.46
▸ SRD5A1 P18405 1/20 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
SCHEMBL8496797 1.00 AR (0.57) ARKCNH2SRD5A2SRD5A1
SCHEMBL8902621 1.00 AR (0.57) ARKCNH2SRD5A2SRD5A1
SCHEMBL8498570 0.92 AR (0.56) ARKCNH2SRD5A2
SCHEMBL8498564 0.92 AR (0.56) ARKCNH2SRD5A2
SCHEMBL8500168 0.89 AR (0.60) ARKCNH2SRD5A2
SCHEMBL8500160 0.89 AR (0.60) ARKCNH2SRD5A2
SCHEMBL9227508 0.88 AR (0.60) ARKCNH2SRD5A2
SCHEMBL8498401 0.88 AR (0.60) ARKCNH2SRD5A2
SCHEMBL8498395 0.88 AR (0.60) ARKCNH2SRD5A2
SCHEMBL15122350 0.88 AR (0.58) 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-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