SCHEMBL743358

SCHEMBL743358

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)CO)C2)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.49
HRH1 P35367 11/20 0.49
CYP2D6 P10635 6/20 0.49
CHRM1 P11229 3/20 0.49
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
REN P00797 1/20 0.42

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
SCHEMBL743359 1.00 KCNH2 (0.49) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL763700 0.94 KCNH2 (0.50) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL741545 0.93 KCNH2 (0.49) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL741544 0.93 KCNH2 (0.49) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL762727 0.91 KCNH2 (0.51) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL740634 0.91 HRH1 (0.49) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL739450 0.91 HRH1 (0.49) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL741047 0.89 HRH1 (0.50) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL741010 0.89 HRH1 (0.50) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL739699 0.89 HRH1 (0.50) KCNH2HRH1CYP2D6CHRM1USP2

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