Sugi Predict

Sugi Predict / Compounds / SCHEMBL742255

SCHEMBL742255

SCHEMBL742255

COCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(-n4c(=O)n(CCOC)c5ccccc54)cc3)NC(=O)O)C2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 11/20 0.43
▸ KCNH2 Q12809 9/20 0.43
▸ CYP2D6 P10635 5/20 0.43
▸ CHRM1 P11229 3/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL764980 0.92 KCNH2 (0.39) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL762649 0.90 KCNH2 (0.43) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL741740 0.90 KCNH2 (0.43) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL741739 0.90 KCNH2 (0.43) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL741682 0.90 HRH1 (0.44) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL741681 0.90 HRH1 (0.44) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL740088 0.89 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL739919 0.88 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL740312 0.88 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1CYP3A4
SCHEMBL742501 0.88 MAPT (0.43) 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