Sugi Predict

Sugi Predict / Compounds / SCHEMBL763530

SCHEMBL763530

SCHEMBL763530

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](C)Cc3ccc(-c4ccccc4OC)cc3)C2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 10/20 0.45
▸ HRH1 P35367 9/20 0.45
▸ CYP2D6 P10635 7/20 0.45
▸ CHRM1 P11229 3/20 0.42
▸ TP53 P04637 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL763290 0.93 KCNH2 (0.42) KCNH2HRH1CYP2D6CHRM1TP53
SCHEMBL762720 0.93 KCNH2 (0.43) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL762612 0.92 HRH1 (0.46) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL738828 0.92 HRH1 (0.44) KCNH2HRH1CYP2D6CHRM1TP53
SCHEMBL762884 0.92 KCNH2 (0.45) KCNH2HRH1CYP2D6CHRM1TP53
SCHEMBL738829 0.92 HRH1 (0.44) KCNH2HRH1CYP2D6CHRM1TP53
SCHEMBL762894 0.91 KCNH2 (0.42) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL762888 0.90 KCNH2 (0.45) KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL762638 0.90 KCNH2 (0.44) KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL763276 0.90 HRH1 (0.44) KCNH2HRH1CYP2D6CHRM1TP53

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