SCHEMBL8523871

SCHEMBL8523871

CC1C(Oc2cccc(C#N)c2)C2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A4 P31645 1/20 0.34
MBOAT4 Q96T53 2/20 0.33
HRH1 P35367 1/20 0.31
CCR3 P51677 1/20 0.31
SRD5A1 P18405 4/20 0.31
SRD5A2 P31213 3/20 0.31
CHRM4 P08173 1/20 0.31
MGLL Q99685 1/20 0.30
BACE1 P56817 2/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL8996718 1.00 SLC6A2 (0.34) SLC6A2SLC6A3SLC6A4MBOAT4HRH1
SCHEMBL8523925 0.91 TRPC6 (0.35) MBOAT4HRH1
SCHEMBL8996728 0.91 TRPC6 (0.35) MBOAT4HRH1
SCHEMBL8524427 0.87 SRD5A1 (0.33) SLC6A2SLC6A3SLC6A4SRD5A1SRD5A2
SCHEMBL8524175 0.87 SRD5A1 (0.36) SRD5A1SRD5A2
SCHEMBL8996733 0.83 STS (0.30) SRD5A1SRD5A2
SCHEMBL8523662 0.83 STS (0.30) SRD5A1SRD5A2
SCHEMBL8523102 0.82 KDM4E (0.34) SRD5A1SRD5A2
SCHEMBL8522770 0.82 PLA2G7 (0.33) SRD5A1
SCHEMBL8523449 0.82 SRD5A1 (0.33) SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 EP claimed
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
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 EP claimed
EP-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 EP claimed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO claimed
EP-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 EP disclosed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO disclosed