Sugi Predict

Sugi Predict / Compounds / SCHEMBL763286

SCHEMBL763286

SCHEMBL763286

COCCCn1c([C@@H]2CCCN(C(=O)C[C@H](N)Cc3ccc(-n4cc5ccccc5cc4=O)cc3)C2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.43
▸ HRH1 P35367 8/20 0.43
▸ CYP2D6 P10635 5/20 0.43
▸ CHRM1 P11229 3/20 0.42
▸ MAPT P10636 8/20 0.40
▸ TP53 P04637 4/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL763285 0.93 KCNH2 (0.43) KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL739647 0.90 HRH1 (0.42) KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL739648 0.90 HRH1 (0.42) KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL742506 0.90 HRH1 (0.43) KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL742508 0.90 HRH1 (0.43) KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL740641 0.89 KCNH2 (0.41) KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL740642 0.89 KCNH2 (0.41) KCNH2HRH1CYP2D6CHRM1MAPT
SCHEMBL739244 0.88 HRH1 (0.46) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL739245 0.88 HRH1 (0.46) KCNH2HRH1CYP2D6CHRM1CYP3A4
SCHEMBL742730 0.88 HRH1 (0.42) KCNH2HRH1CYP2D6CHRM1MAPT

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 2 patents. 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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 — — US disclosed