SCHEMBL740756

SCHEMBL740756

COCCCn1c(C2CCCNC2)nc2ccc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.52
CHRM1 P11229 2/20 0.52
BRD4 O60885 3/20 0.43
REN P00797 1/20 0.41
NPY1R P25929 6/20 0.41
KCNH2 Q12809 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLP1R P43220 1/20 0.37
MCHR1 Q99705 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
SCHEMBL740755 1.00 HRH1 (0.52) HRH1CHRM1BRD4RENNPY1R
SCHEMBL742773 0.88 HRH1 (0.54) HRH1CHRM1BRD4RENKCNH2
SCHEMBL742774 0.88 HRH1 (0.54) HRH1CHRM1BRD4RENKCNH2
SCHEMBL737976 0.88 HRH1 (0.55) HRH1CHRM1BRD4RENKCNH2
SCHEMBL737977 0.88 HRH1 (0.55) HRH1CHRM1BRD4RENKCNH2
SCHEMBL741001 0.88 CHRM1 (0.49) HRH1CHRM1BRD4RENKCNH2
SCHEMBL741000 0.88 CHRM1 (0.49) HRH1CHRM1BRD4RENKCNH2
SCHEMBL739358 0.86 CHRM1 (0.53) HRH1CHRM1BRD4RENOPRM1
SCHEMBL739357 0.86 CHRM1 (0.53) HRH1CHRM1BRD4RENOPRM1
SCHEMBL739842 0.85 HRH1 (0.70) HRH1CHRM1BRD4RENNPY1R

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