SCHEMBL8637608

SCHEMBL8637608

CC1CC2N(C)C(=O)CC(Oc3ccc(C#N)cc3)[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 6/20 0.34
HRH3 Q9Y5N1 9/20 0.33
MBOAT4 Q96T53 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
HRH2 P25021 4/20 0.32
HRH1 P35367 4/20 0.32
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31

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
SCHEMBL8642307 0.89 SRD5A1 (0.32) SRD5A1SRD5A2
SCHEMBL8996754 0.89 SRD5A1 (0.31) SRD5A1SRD5A2
SCHEMBL8633124 0.88 SRD5A1 (0.33) SRD5A1SRD5A2
SCHEMBL8636806 0.86 GPR119 (0.33) GPR119
SCHEMBL8639398 0.86 MMP12 (0.30)
SCHEMBL8632775 0.85
SCHEMBL8523650 0.85
SCHEMBL8677090 0.82 CHRNB2 (0.32) SRD5A1SRD5A2
SCHEMBL8522986 0.81 SRD5A1 (0.35) MBOAT4SRD5A1SRD5A2
SCHEMBL8679405 0.81 OPRM1 (0.34) HRH3

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-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 EP claimed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP claimed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed