Sugi Predict

Sugi Predict / Compounds / SCHEMBL742392

SCHEMBL742392

SCHEMBL742392

COCCCn1c(C2CCCN(C(=O)CC(Cc3ccc(-n4ccc5ccccc5c4=O)cc3)N(C(=O)O)C(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 9/20 0.39
▸ KCNH2 Q12809 8/20 0.39
▸ CYP2D6 P10635 6/20 0.39
▸ CHRM1 P11229 3/20 0.37
▸ MAPT P10636 5/20 0.35
▸ TP53 P04637 2/20 0.35
▸ PROKR1 Q8TCW9 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL742391 1.00 HRH1 (0.39) HRH1KCNH2CYP2D6CHRM1MAPT
SCHEMBL743284 0.88 HRH1 (0.41) HRH1KCNH2CYP2D6CHRM1MAPT
SCHEMBL763281 0.88 KCNH2 (0.40) HRH1KCNH2CYP2D6CHRM1MAPT
SCHEMBL738968 0.88 HRH1 (0.40) HRH1KCNH2CYP2D6CHRM1MAPT
SCHEMBL738967 0.88 HRH1 (0.40) HRH1KCNH2CYP2D6CHRM1MAPT
SCHEMBL739313 0.87 HRH1 (0.44) HRH1KCNH2CYP2D6CHRM1MAPT
SCHEMBL740379 0.87 HRH1 (0.44) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL741091 0.87 MAPT (0.41) HRH1KCNH2CYP2D6CHRM1MAPT
SCHEMBL741092 0.87 MAPT (0.41) HRH1KCNH2CYP2D6CHRM1MAPT
SCHEMBL739460 0.86 HRH1 (0.41) HRH1KCNH2CYP2D6CHRM1MAPT

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