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Sugi Predict / Compounds / SCHEMBL741092

SCHEMBL741092

SCHEMBL741092

COCCCn1c(C2CCCN(C(=O)CC(Cc3ccc(N4CCCC4=O)cc3)N(C(=O)O)C(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.41
▸ TP53 P04637 6/20 0.41
▸ KCNH2 Q12809 6/20 0.41
▸ HRH1 P35367 5/20 0.41
▸ CYP2D6 P10635 4/20 0.41
▸ THRB P10828 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BLM P54132 1/20 0.36

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
SCHEMBL741091 1.00 MAPT (0.41) MAPTTP53KCNH2HRH1CYP2D6
SCHEMBL740916 0.92 MAPT (0.39) MAPTTP53KCNH2HRH1CYP2D6
SCHEMBL740915 0.92 MAPT (0.39) MAPTTP53KCNH2HRH1CYP2D6
SCHEMBL743284 0.89 HRH1 (0.41) MAPTTP53KCNH2HRH1CYP2D6
SCHEMBL740379 0.89 HRH1 (0.44) KCNH2HRH1CYP2D6CHRM1
SCHEMBL739313 0.89 HRH1 (0.44) MAPTTP53KCNH2HRH1CYP2D6
SCHEMBL739460 0.89 HRH1 (0.41) MAPTTP53KCNH2HRH1CYP2D6
SCHEMBL742257 0.88 HRH1 (0.41) MAPTTP53KCNH2HRH1CYP2D6
SCHEMBL741953 0.88 HRH1 (0.40) MAPTTP53KCNH2HRH1CYP2D6
SCHEMBL741954 0.88 HRH1 (0.40) MAPTTP53KCNH2HRH1CYP2D6

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