Sugi Predict

Sugi Predict / Compounds / SCHEMBL763848

SCHEMBL763848

SCHEMBL763848

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(N4CCC(O)CC4)cc3)NC(=O)OC(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 9/20 0.40
▸ CYP2D6 P10635 7/20 0.40
▸ KCNH2 Q12809 10/20 0.39
▸ CHRM1 P11229 3/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ KLK5 Q9Y337 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
SCHEMBL10292328 0.95 KCNH2 (0.41) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL743290 0.94 HRH1 (0.40) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL10292175 0.94 HRH1 (0.40) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL743291 0.94 HRH1 (0.40) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL762803 0.94 HRH1 (0.41) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL763783 0.93 HRH1 (0.39) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL10293059 0.93 HRH1 (0.39) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL743288 0.91 HRH1 (0.43) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL763178 0.90 HRH1 (0.43) HRH1CYP2D6KCNH2CHRM1CYP3A4
SCHEMBL763880 0.90 HRH1 (0.43) HRH1CYP2D6KCNH2CHRM1CYP3A4

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