SCHEMBL7963410

SCHEMBL7963410

Cc1cccc2c1c(CN)cn2C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 9/20 0.48
CTSG P08311 1/20 0.48
HTR2A P28223 6/20 0.45
HTR2C P28335 5/20 0.44
HTR2B P41595 4/20 0.44
GPR84 Q9NQS5 1/20 0.42
CDK2 P24941 1/20 0.40
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37

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
Iodide SCHEMBL5265557 0.85 HTR2A (0.57) CMA1CTSGHTR2AHTR2CHTR2B
SCHEMBL4552632 0.84 CMA1 (0.52) CMA1CTSGHTR2AHTR2CHTR2B
Ammonia Solution, Strong SCHEMBL27500614 0.81 CMA1 (0.47) CMA1CTSGHTR2AHTR2CHTR2B
SCHEMBL4572379 0.81 HTR2A (0.48) CMA1CTSGHTR2AHTR2CHTR2B
SCHEMBL2309552 0.79 CMA1 (0.46) CMA1CTSGHTR2AHTR2CHTR2B
SCHEMBL8212651 0.79 CMA1 (0.46) CMA1CTSGHTR2AHTR2CHTR2B
SCHEMBL1093151 0.79 CMA1 (0.46) CMA1CTSGHTR2AHTR2CHTR2B
SCHEMBL5271283 0.79 HTR2C (0.69) CMA1CTSGHTR2AHTR2CHTR2B
SCHEMBL4570287 0.79 CMA1 (0.46) CMA1CTSGHTR2AHTR2CHTR2B
SCHEMBL1856232 0.78 CMA1 (0.45) CMA1CTSGHTR2AHTR2CHTR2B

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
WO-2010019417-A2 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 WO disclosed