SCHEMBL18503383

SCHEMBL18503383

Cc1ccc(-c2ccc(CCC3CCC(C)CC3)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.39
HTR2C P28335 9/20 0.39
CHRM4 P08173 1/20 0.37
MAOB P27338 3/20 0.34
MAOA P21397 1/20 0.33
ICMT O60725 1/20 0.33
KDM1A O60341 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL21019437 0.88 HTR2A (0.42) HTR2AHTR2CMAOBMAOA
SCHEMBL18503379 0.84 HTR2A (0.42) HTR2AHTR2CMAOBMAOA
SCHEMBL8153366 0.81 HTR2A (0.56) HTR2AHTR2C
SCHEMBL18503382 0.80 CHKA (0.33) MAOBKDM1A
SCHEMBL21430438 0.80 MAOB (0.39) HTR2AHTR2CMAOB
SCHEMBL8146281 0.78 HTR2A (0.43) HTR2AHTR2C
SCHEMBL8969016 0.78 NAAA (0.40) HTR2AHTR2CKDM1A
SCHEMBL18503377 0.78 HRH3 (0.40) CHRM4MAOBHRH3
SCHEMBL21182805 0.77 CHRM4 (0.31) HTR2AHTR2CCHRM4
SCHEMBL21592063 0.77 HRH3 (0.42) HTR2AMAOBHRH3

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