SCHEMBL742773

SCHEMBL742773

COCCCn1c([C@@H]2CCCNC2)nc2ccc(F)cc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.54
CHRM1 P11229 4/20 0.54
BRD4 O60885 6/20 0.43
REN P00797 1/20 0.41
MAPT P10636 3/20 0.39
TP53 P04637 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
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 2/20 0.38
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36

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
SCHEMBL742774 1.00 HRH1 (0.54) HRH1CHRM1BRD4RENMAPT
SCHEMBL740741 0.92 HRH1 (0.54) HRH1CHRM1BRD4RENMAPT
SCHEMBL740742 0.92 HRH1 (0.54) HRH1CHRM1BRD4RENMAPT
SCHEMBL737977 0.88 HRH1 (0.55) HRH1CHRM1BRD4RENMAPT
SCHEMBL737976 0.88 HRH1 (0.55) HRH1CHRM1BRD4RENMAPT
SCHEMBL740755 0.88 HRH1 (0.52) HRH1CHRM1BRD4RENMAPT
SCHEMBL740756 0.88 HRH1 (0.52) HRH1CHRM1BRD4RENMAPT
SCHEMBL739358 0.86 CHRM1 (0.53) HRH1CHRM1BRD4RENOPRM1
SCHEMBL739357 0.86 CHRM1 (0.53) HRH1CHRM1BRD4RENOPRM1
SCHEMBL739842 0.85 HRH1 (0.70) HRH1CHRM1BRD4RENOPRM1

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