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SCHEMBL763880

SCHEMBL763880

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(Cl)cc3)NC(=O)OC(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 9/20 0.43
▸ CYP2D6 P10635 7/20 0.43
▸ KCNH2 Q12809 10/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CHRM1 P11229 3/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ KLK5 Q9Y337 1/20 0.38

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
SCHEMBL763178 1.00 HRH1 (0.43) HRH1CYP2D6KCNH2TP53MAPT
SCHEMBL762674 0.93 HRH1 (0.41) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL763858 0.93 KCNH2 (0.42) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL762820 0.93 HRH1 (0.44) HRH1CYP2D6KCNH2TP53MAPT
SCHEMBL763220 0.93 TP53 (0.41) HRH1CYP2D6KCNH2TP53MAPT
SCHEMBL763793 0.92 HRH1 (0.40) HRH1CYP2D6KCNH2TP53MAPT
SCHEMBL10292651 0.92 HRH1 (0.44) HRH1CYP2D6KCNH2TP53MAPT
SCHEMBL16301237 0.91 HRH1 (0.40) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL10292328 0.91 KCNH2 (0.41) HRH1CYP2D6KCNH2TP53MAPT
SCHEMBL16301236 0.91 KCNH2 (0.47) HRH1CYP2D6KCNH2TP53MAPT

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