SCHEMBL740123

SCHEMBL740123

CC(=O)NCCn1c(C2CCCN(C(=O)CC(N)Cc3ccc(-c4ccnc(O)c4)cc3)C2)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.41
CYP2D6 P10635 9/20 0.41
PROKR1 Q8TCW9 2/20 0.40
KCNH2 Q12809 9/20 0.39
CHRM1 P11229 3/20 0.39
USP2 O75604 1/20 0.37
POLB P06746 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
SCHEMBL739861 1.00 HRH1 (0.41) HRH1CYP2D6PROKR1KCNH2CHRM1
SCHEMBL739322 0.92 HRH1 (0.42) HRH1CYP2D6PROKR1KCNH2CHRM1
SCHEMBL739321 0.92 HRH1 (0.42) HRH1CYP2D6PROKR1KCNH2CHRM1
SCHEMBL739267 0.89 HRH1 (0.42) HRH1CYP2D6PROKR1KCNH2CHRM1
SCHEMBL739266 0.89 HRH1 (0.42) HRH1CYP2D6PROKR1KCNH2CHRM1
SCHEMBL739732 0.89 HRH1 (0.42) HRH1CYP2D6PROKR1KCNH2CHRM1
SCHEMBL739733 0.89 HRH1 (0.42) HRH1CYP2D6PROKR1KCNH2CHRM1
SCHEMBL763357 0.89 HRH1 (0.43) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL741237 0.88 KCNH2 (0.42) HRH1CYP2D6PROKR1KCNH2CHRM1
SCHEMBL741236 0.88 KCNH2 (0.42) HRH1CYP2D6PROKR1KCNH2CHRM1

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 2 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