SCHEMBL740227

SCHEMBL740227

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-n4c(=O)[nH]c5cc(F)ccc54)cc3)C2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.43
CYP2D6 P10635 7/20 0.43
KCNH2 Q12809 9/20 0.41
CHRM1 P11229 3/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 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
SCHEMBL740228 1.00 HRH1 (0.43) HRH1CYP2D6KCNH2CHRM1MAPT
SCHEMBL740181 0.95 HRH1 (0.43) HRH1CYP2D6KCNH2CHRM1MAPT
SCHEMBL740182 0.95 HRH1 (0.43) HRH1CYP2D6KCNH2CHRM1MAPT
SCHEMBL762790 0.93 HRH1 (0.44) HRH1CYP2D6KCNH2CHRM1MAPT
SCHEMBL740613 0.93 HRH1 (0.38) HRH1CYP2D6KCNH2CHRM1MAPT
SCHEMBL740612 0.93 HRH1 (0.38) HRH1CYP2D6KCNH2CHRM1MAPT
SCHEMBL763334 0.93 HRH1 (0.40) HRH1CYP2D6KCNH2CHRM1MAPT
SCHEMBL742362 0.93 KCNH2 (0.42) HRH1CYP2D6KCNH2CHRM1MAPT
SCHEMBL742361 0.93 KCNH2 (0.42) HRH1CYP2D6KCNH2CHRM1MAPT
SCHEMBL741951 0.91 HRH1 (0.38) HRH1CYP2D6KCNH2CHRM1MAPT

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