SCHEMBL7863962

SCHEMBL7863962

COCCCc1ccccc1-c1ccc([C@@H]2CCCNC2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.43
REN P00797 3/20 0.40
KCNH2 Q12809 3/20 0.40
HTR2C P28335 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL7870962 0.89 REN (0.43) HTR2ARENKCNH2HTR2C
SCHEMBL7872529 0.88 REN (0.41) HTR2ARENKCNH2CHRNB2CHRNA4
SCHEMBL7864207 0.83 HTR2A (0.41) HTR2AHTR2C
SCHEMBL7863795 0.82 REN (0.54) HTR2ARENKCNH2
SCHEMBL7876082 0.82 REN (0.42) RENKCNH2
SCHEMBL7869218 0.82 REN (0.41) RENKCNH2
SCHEMBL10202444 0.81 REN (0.47) RENKCNH2
SCHEMBL7867597 0.80 CHRNB2 (0.46) HTR2ACHRNB2CHRNA4
SCHEMBL7863764 0.80 REN (0.58) RENKCNH2
SCHEMBL7867634 0.79 REN (0.44) RENKCNH2

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-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed