SCHEMBL742028

SCHEMBL742028

COCCCn1c(C2CCCN(C(=O)C[C@H](N)Cc3ccc(Cl)cc3)C2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 10/20 0.47
CYP2D6 P10635 7/20 0.47
KCNH2 Q12809 10/20 0.46
CHRM1 P11229 3/20 0.45
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.43
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL740690 1.00 HRH1 (0.47) HRH1CYP2D6KCNH2CHRM1TP53
SCHEMBL741067 1.00 HRH1 (0.47) HRH1CYP2D6KCNH2CHRM1TP53
SCHEMBL738771 1.00 HRH1 (0.47) HRH1CYP2D6KCNH2CHRM1TP53
SCHEMBL739563 1.00 HRH1 (0.47) HRH1CYP2D6KCNH2CHRM1TP53
SCHEMBL738770 1.00 HRH1 (0.47) HRH1CYP2D6KCNH2CHRM1TP53
SCHEMBL739071 1.00 HRH1 (0.47) HRH1CYP2D6KCNH2CHRM1TP53
SCHEMBL740634 0.94 HRH1 (0.49) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL739450 0.94 HRH1 (0.49) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL738740 0.92 HRH1 (0.46) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL740365 0.92 HRH1 (0.45) 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