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Sugi Predict / Compounds / SCHEMBL765107

SCHEMBL765107

SCHEMBL765107

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-c4ccc(NC(=O)CO)cc4)cc3)NC(=O)OC(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 9/20 0.38
▸ CYP2D6 P10635 7/20 0.38
▸ KCNH2 Q12809 9/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CHRM1 P11229 3/20 0.37
▸ AGTR2 P50052 3/20 0.36
▸ AGTR1 P30556 2/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL16301243 0.95 HRH1 (0.38) HRH1CYP2D6KCNH2ATMCHRM1
SCHEMBL740607 0.94 HRH1 (0.39) HRH1CYP2D6KCNH2ATMCHRM1
SCHEMBL764391 0.93 HRH1 (0.38) HRH1CYP2D6KCNH2ATMCHRM1
SCHEMBL16301225 0.93 HRH1 (0.38) HRH1CYP2D6KCNH2ATMCHRM1
SCHEMBL10292165 0.93 HRH1 (0.38) HRH1CYP2D6KCNH2ATMCHRM1
SCHEMBL763858 0.92 KCNH2 (0.42) HRH1CYP2D6KCNH2CHRM1AGTR2
SCHEMBL16301266 0.92 HRH1 (0.41) HRH1CYP2D6KCNH2ATMCHRM1
SCHEMBL738642 0.92 HRH1 (0.41) HRH1CYP2D6KCNH2CHRM1MCHR1
SCHEMBL16301224 0.92 ATM (0.40) HRH1CYP2D6KCNH2ATMCHRM1
SCHEMBL16301265 0.92 KCNH2 (0.38) HRH1CYP2D6KCNH2ATMCHRM1

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