SCHEMBL8676804

SCHEMBL8676804

CC1CC2N(C)CCC[C@]2(C)[C@@H]2CC[C@]3(C)CC(Oc4ccc(Cl)cc4)C[C@H]3[C@H]12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.33
PROKR1 Q8TCW9 2/20 0.33
HSD11B1 P28845 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
DRD2 P14416 1/20 0.32
SLC6A4 P31645 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SIGMAR1 Q99720 2/20 0.30
SRD5A1 P18405 1/20 0.30
SRD5A2 P31213 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
SCHEMBL917053 0.83 SRD5A1 (0.45) SRD5A1SRD5A2
SCHEMBL915556 0.77 SRD5A1 (0.46) FPR2PROKR1MMP12MMP13SRD5A1
SCHEMBL916849 0.76 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL917127 0.75 SRD5A1 (0.45) SLC6A4SLC6A2SLC6A3SRD5A1SRD5A2
SCHEMBL917299 0.75 SRD5A1 (0.44) MMP12MMP13SLC6A4SLC6A2SLC6A3
SCHEMBL917805 0.75 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL917798 0.75 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL915497 0.74 SRD5A1 (0.42) SRD5A1SRD5A2
SCHEMBL917242 0.74 SRD5A1 (0.45) SRD5A1SRD5A2
SCHEMBL918119 0.74 SRD5A1 (0.43) SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5730964-A Method of treating sweat-related conditions MERCK & CO., INC. (US) 1998-03-24 US disclosed