SCHEMBL742090

SCHEMBL742090

CC(=O)NCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc4ccccc4c3)N(C(=O)O)C(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 10/20 0.42
KCNH2 Q12809 8/20 0.42
CYP2D6 P10635 7/20 0.42
CHRM1 P11229 3/20 0.40
PROKR1 Q8TCW9 2/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL741317 0.88 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL742306 0.87 HRH1 (0.41) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL741163 0.86 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL741164 0.86 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL762687 0.84 HRH1 (0.41) HRH1KCNH2CYP2D6CHRM1POLB
SCHEMBL742065 0.82 HRH1 (0.39) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL738741 0.82 KCNH2 (0.39) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL742192 0.81 HRH1 (0.40) HRH1KCNH2CYP2D6CHRM1
SCHEMBL740611 0.81 KCNH2 (0.38) HRH1KCNH2CYP2D6CHRM1PROKR1
SCHEMBL739588 0.80 HRH1 (0.43) HRH1KCNH2CYP2D6CHRM1PROKR1

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 1 patent. 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