Sugi Predict

Sugi Predict / Compounds / SCHEMBL763793

SCHEMBL763793

SCHEMBL763793

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-c4ccccc4Cl)cc3)NC(=O)OC(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 9/20 0.40
▸ CYP2D6 P10635 7/20 0.40
▸ AGTR2 P50052 4/20 0.40
▸ AGTR1 P30556 3/20 0.40
▸ KCNH2 Q12809 9/20 0.39
▸ TP53 P04637 2/20 0.38
▸ CHRM1 P11229 3/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 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
SCHEMBL765309 0.93 HRH1 (0.39) HRH1CYP2D6AGTR2AGTR1KCNH2
SCHEMBL16301221 0.93 HRH1 (0.40) HRH1CYP2D6AGTR2AGTR1KCNH2
SCHEMBL764297 0.93 AGTR2 (0.39) HRH1CYP2D6AGTR2AGTR1KCNH2
SCHEMBL763924 0.92 HRH1 (0.41) HRH1CYP2D6AGTR2AGTR1KCNH2
SCHEMBL741085 0.92 AGTR2 (0.38) HRH1CYP2D6AGTR2AGTR1KCNH2
SCHEMBL741086 0.92 AGTR2 (0.38) HRH1CYP2D6AGTR2AGTR1KCNH2
SCHEMBL739761 0.92 AGTR2 (0.38) HRH1CYP2D6AGTR2AGTR1KCNH2
SCHEMBL739762 0.92 AGTR2 (0.38) HRH1CYP2D6AGTR2AGTR1KCNH2
SCHEMBL763178 0.92 HRH1 (0.43) HRH1CYP2D6KCNH2TP53CHRM1
SCHEMBL763880 0.92 HRH1 (0.43) HRH1CYP2D6KCNH2TP53CHRM1

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