SCHEMBL742498

SCHEMBL742498

O=C(O)N[C@@H](CC(=O)N1CCC[C@@H](c2nc3ccccc3n2CCF)C1)Cc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 10/20 0.49
CYP2D6 P10635 7/20 0.49
KCNH2 Q12809 10/20 0.45
CHRM1 P11229 3/20 0.45
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.39

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
SCHEMBL739919 0.89 HRH1 (0.45) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL763469 0.89 HRH1 (0.45) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL741718 0.84 HRH1 (0.46) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL740088 0.82 HRH1 (0.45) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL740312 0.82 HRH1 (0.45) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL762676 0.81 HRH1 (0.42) HRH1CYP2D6KCNH2CHRM1TP53
SCHEMBL741681 0.81 HRH1 (0.44) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL741682 0.81 HRH1 (0.44) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL762674 0.80 HRH1 (0.41) HRH1CYP2D6KCNH2CHRM1USP2
SCHEMBL742278 0.80 HRH1 (0.43) HRH1CYP2D6KCNH2CHRM1USP2

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