Sugi Predict

Sugi Predict / Compounds / SCHEMBL741682

SCHEMBL741682

SCHEMBL741682

COCCCn1c(C2CCCN(C(=O)CC(Cc3ccc(N4CCN(c5ccccc5)CC4)cc3)NC(=O)O)C2)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 11/20 0.44
▸ KCNH2 Q12809 10/20 0.44
▸ CYP2D6 P10635 7/20 0.44
▸ CHRM1 P11229 3/20 0.43
▸ USP2 O75604 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL741681 1.00 HRH1 (0.44) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL740855 0.96 HRH1 (0.42) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL743288 0.95 HRH1 (0.43) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL741563 0.93 MAPT (0.41) HRH1KCNH2CYP2D6CHRM1TP53
SCHEMBL741564 0.93 MAPT (0.41) HRH1KCNH2CYP2D6CHRM1TP53
SCHEMBL740088 0.92 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL10292328 0.92 KCNH2 (0.41) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL739919 0.91 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL740312 0.91 HRH1 (0.45) HRH1KCNH2CYP2D6CHRM1USP2
SCHEMBL741579 0.90 KCNH2 (0.45) HRH1KCNH2CYP2D6CHRM1USP2

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