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SCHEMBL765104

SCHEMBL765104

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-c4ccc(C(=O)NCCOC)nc4)cc3)NC(=O)OC(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 9/20 0.38
▸ CYP2D6 P10635 7/20 0.38
▸ BTK Q06187 1/20 0.37
▸ KCNH2 Q12809 9/20 0.37
▸ CHRM1 P11229 3/20 0.36
▸ AGTR2 P50052 3/20 0.35
▸ AGTR1 P30556 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34

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
SCHEMBL765392 0.97 HRH1 (0.37) HRH1CYP2D6BTKKCNH2CHRM1
SCHEMBL741758 0.93 KCNH2 (0.38) HRH1CYP2D6BTKKCNH2CHRM1
SCHEMBL740914 0.93 HRH1 (0.40) HRH1CYP2D6BTKKCNH2CHRM1
SCHEMBL741759 0.93 KCNH2 (0.38) HRH1CYP2D6BTKKCNH2CHRM1
SCHEMBL762735 0.92 HRH1 (0.38) HRH1CYP2D6KCNH2CHRM1AGTR2
SCHEMBL10292487 0.90 KCNH2 (0.39) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL763858 0.90 KCNH2 (0.42) HRH1CYP2D6KCNH2CHRM1AGTR2
SCHEMBL764968 0.90 KCNH2 (0.39) HRH1CYP2D6BTKKCNH2CHRM1
SCHEMBL764484 0.89 KCNH2 (0.41) HRH1CYP2D6KCNH2CHRM1AGTR2
SCHEMBL744675 0.89 HRH1 (0.40) HRH1CYP2D6BTKKCNH2CHRM1

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