SCHEMBL740649

SCHEMBL740649

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-c4ccccc4C)cc3)C2)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.42
CYP2D6 P10635 7/20 0.42
KCNH2 Q12809 11/20 0.42
CHRM1 P11229 3/20 0.41
CYP3A4 P08684 1/20 0.39
BRD4 O60885 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL740650 1.00 HRH1 (0.42) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL738828 0.93 HRH1 (0.44) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL738829 0.93 HRH1 (0.44) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL739640 0.92 HRH1 (0.45) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL740621 0.92 HRH1 (0.42) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL740622 0.92 HRH1 (0.42) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL739641 0.92 HRH1 (0.45) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL741661 0.92 HRH1 (0.44) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL741660 0.92 HRH1 (0.44) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL762720 0.92 KCNH2 (0.43) HRH1CYP2D6KCNH2CHRM1CYP3A4

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