SCHEMBL739843

SCHEMBL739843

COCCCn1c(C2CCCNC2)nc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.70
CHRM1 P11229 3/20 0.70
REN P00797 1/20 0.54
KCNH2 Q12809 3/20 0.49
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
OPRL1 P41146 2/20 0.49
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
NPY1R P25929 2/20 0.45
BRD4 O60885 1/20 0.43

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
SCHEMBL739842 1.00 HRH1 (0.70) HRH1CHRM1RENKCNH2OPRM1
Piperidine SCHEMBL742276 0.97 HRH1 (0.67) HRH1CHRM1RENKCNH2OPRM1
SCHEMBL763158 0.88 HRH1 (0.68) HRH1CHRM1KCNH2OPRM1OPRD1
SCHEMBL740712 0.86 HRH1 (0.53) HRH1CHRM1RENKCNH2OPRM1
SCHEMBL740713 0.86 HRH1 (0.53) HRH1CHRM1RENKCNH2OPRM1
SCHEMBL741971 0.86 HRH1 (0.53) HRH1CHRM1RENOPRM1OPRD1
SCHEMBL741972 0.86 HRH1 (0.53) HRH1CHRM1RENOPRM1OPRD1
SCHEMBL742774 0.85 HRH1 (0.54) HRH1CHRM1RENKCNH2OPRM1
SCHEMBL740756 0.85 HRH1 (0.52) HRH1CHRM1RENKCNH2OPRM1
SCHEMBL740741 0.85 HRH1 (0.54) HRH1CHRM1RENKCNH2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013084241-A1 COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2013-06-13 WO 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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed