SCHEMBL7870962

SCHEMBL7870962

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.43
HTR2A P28223 4/20 0.43
KCNH2 Q12809 6/20 0.43
HTR2C P28335 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1E P28566 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 1/20 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
SCHEMBL7863962 0.89 HTR2A (0.43) RENHTR2AKCNH2HTR2C
SCHEMBL7862530 0.82 REN (0.63) RENHTR2AKCNH2HTR2CCYP3A4
SCHEMBL7869553 0.77 REN (0.71) RENKCNH2CYP3A4
SCHEMBL7865848 0.77 REN (0.52) RENKCNH2CYP3A4HTR1AHTR6
SCHEMBL7864207 0.77 HTR2A (0.41) HTR2AHTR2C
SCHEMBL7872529 0.76 REN (0.41) RENHTR2AKCNH2
SCHEMBL7865844 0.75 REN (0.54) RENKCNH2CYP3A4
SCHEMBL10202462 0.75 REN (0.47) RENKCNH2CYP3A4HTR6
SCHEMBL10202569 0.75 REN (0.76) RENKCNH2CYP3A4
SCHEMBL7876082 0.73 REN (0.42) RENKCNH2CYP3A4

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