SCHEMBL18503377

SCHEMBL18503377

Cc1ccc(-c2ccc(CCC3CCC(C)CC3)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
HSD11B1 P28845 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NISCH Q9Y2I1 1/20 0.35
MAOB P27338 2/20 0.35
LMNA P02545 1/20 0.34
RARB P10826 2/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
KIF11 P52732 1/20 0.33
CHRM4 P08173 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL18459150 0.89 SLC6A2 (0.45) SLC6A3SLC6A2SLC6A4GPR84MAOB
SCHEMBL21592063 0.89 HRH3 (0.42) HRH3SLC6A3SLC6A2SLC6A4GPR84
SCHEMBL17548009 0.88 SLC6A2 (0.47) SLC6A3SLC6A2SLC6A4GPR84HSD11B1
SCHEMBL9763604 0.86 HRH3 (0.45) HRH3SLC6A3SLC6A2SLC6A4GPR84
SCHEMBL9763594 0.86 HRH3 (0.45) HRH3SLC6A3SLC6A2SLC6A4GPR84
SCHEMBL12011037 0.85 HRH3 (0.39) HRH3SLC6A3SLC6A2SLC6A4GPR84
SCHEMBL17548020 0.84 SLC6A2 (0.44) SLC6A3SLC6A2SLC6A4GPR84HSD11B1
SCHEMBL20805120 0.82 HRH3 (0.42) HRH3SLC6A3SLC6A2SLC6A4GPR84
SCHEMBL10650950 0.82 CYP11B1 (0.42) HRH3
SCHEMBL10650943 0.82 CYP11B1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170045765-A1 LCD DEVICE DIC CORPORATION (JP) 2017-02-16 US disclosed