Sugi Predict

Sugi Predict / Compounds / SCHEMBL742677

SCHEMBL742677

SCHEMBL742677

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](CN(C(=O)O)C(C)(C)C)NC3c4ccccc4-c4ccccc43)C2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 11/20 0.43
▸ HRH1 P35367 10/20 0.43
▸ CYP2D6 P10635 7/20 0.43
▸ CHRM1 P11229 3/20 0.41
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ REN P00797 2/20 0.37
▸ CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL743078 0.87 KCNH2 (0.44) KCNH2HRH1CYP2D6CHRM1USP2
Hydrochloric Acid SCHEMBL743077 0.87 KCNH2 (0.44) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL738840 0.80 HRH1 (0.48) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL741382 0.79 KCNH2 (0.44) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL764341 0.78 HRH1 (0.41) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL742048 0.78 KCNH2 (0.49) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL762727 0.78 KCNH2 (0.51) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL763853 0.78 KCNH2 (0.41) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL762828 0.78 HRH1 (0.41) KCNH2HRH1CYP2D6CHRM1USP2
SCHEMBL763428 0.77 KCNH2 (0.44) KCNH2HRH1CYP2D6CHRM1USP2

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