SCHEMBL740746

SCHEMBL740746

COCCCn1c(C2CCCNC2)nc2cccc(C(=O)OC)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.46
HRH1 P35367 2/20 0.46
REN P00797 3/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 5/20 0.37
ACP1 P24666 1/20 0.36
NPY1R P25929 1/20 0.36
PARP2 Q9UGN5 3/20 0.35
PARP3 Q9Y6F1 3/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
TNKS O95271 1/20 0.35
CHRM2 P08172 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL742020 0.84 HRH1 (0.50) CHRM1HRH1RENKMT2ANPY1R
SCHEMBL742021 0.84 HRH1 (0.50) CHRM1HRH1RENKMT2ANPY1R
SCHEMBL740511 0.80 CHRM1 (0.48) CHRM1HRH1RENACP1
SCHEMBL739843 0.80 HRH1 (0.70) CHRM1HRH1RENNPY1ROPRM1
SCHEMBL739842 0.80 HRH1 (0.70) CHRM1HRH1RENNPY1ROPRM1
SCHEMBL741659 0.79 PARP1 (0.42) PARP1LMNA
Piperidine SCHEMBL742276 0.77 HRH1 (0.67) CHRM1HRH1RENNPY1ROPRM1
SCHEMBL740713 0.73 HRH1 (0.53) CHRM1HRH1RENOPRM1OPRD1
SCHEMBL741971 0.73 HRH1 (0.53) CHRM1HRH1RENOPRM1OPRD1
SCHEMBL740862 0.73 CHRM1 (0.46) CHRM1HRH1RENNPY1ROPRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed