SCHEMBL78479

SCHEMBL78479

COCCCn1ccc2ccc(C(C)C)cc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.53
REN P00797 3/20 0.48
MCL1 Q07820 9/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
GLO1 Q04760 1/20 0.40
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39

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
SCHEMBL25154223 0.84 HTR7 (0.56) HTR7HTR2AHTR2CCDK4CCND1
SCHEMBL91358 0.81 HTR2A (0.51) HTR7RENMCL1HTR2AHTR2C
SCHEMBL13962823 0.79 MCL1 (0.46) RENMCL1HTR2AHTR2CGLO1
SCHEMBL13962828 0.79 MCL1 (0.46) RENMCL1HTR2AHTR2CGLO1
SCHEMBL8265371 0.79 MCL1 (0.46) RENMCL1HTR2AHTR2CGLO1
SCHEMBL1049671 0.79 HTR7 (0.51) HTR7MCL1HTR2AHTR2CGLO1
SCHEMBL13131405 0.78 HTR7 (0.52) HTR7RENMCL1HTR2AHTR2C
SCHEMBL20614497 0.77 HTR1D (0.62) HTR7HTR2AHTR2C
SCHEMBL3995842 0.75 CDK4 (0.70) HTR2AHTR2CGLO1CDK4CCND1
SCHEMBL26674331 0.75 HTR7 (0.53) HTR7HTR2AHTR2C

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-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed