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SCHEMBL765396

SCHEMBL765396

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-n4c(=O)[nH]c5ccccc54)cc3)NC(=O)OC(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 8/20 0.37
▸ CYP2D6 P10635 6/20 0.37
▸ KCNH2 Q12809 9/20 0.37
▸ MAPT P10636 7/20 0.36
▸ TP53 P04637 3/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL16301230 0.94 HRH1 (0.35) HRH1CYP2D6KCNH2MAPTTP53
SCHEMBL16301231 0.94 HRH1 (0.35) HRH1CYP2D6KCNH2MAPTTP53
SCHEMBL16301261 0.94 MAPT (0.39) HRH1CYP2D6KCNH2MAPTTP53
SCHEMBL16301260 0.94 MAPT (0.39) HRH1CYP2D6KCNH2MAPTTP53
SCHEMBL16301167 0.94 HRH1 (0.40) HRH1CYP2D6KCNH2MAPTTP53
SCHEMBL16301166 0.94 HRH1 (0.40) HRH1CYP2D6KCNH2MAPTTP53
SCHEMBL16301165 0.94 HRH1 (0.35) HRH1CYP2D6KCNH2MAPTTP53
SCHEMBL16301242 0.93 SMN1; SMN2 (0.36) HRH1CYP2D6KCNH2MAPTTP53
SCHEMBL16301191 0.93 HRH1 (0.37) HRH1CYP2D6KCNH2MAPTTP53
SCHEMBL16301241 0.92 SMN1; SMN2 (0.36) HRH1CYP2D6KCNH2MAPTTP53

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