Sugi Predict

Sugi Predict / Compounds / SCHEMBL763291

SCHEMBL763291

SCHEMBL763291

CCCCn1c([C@@H]2CCCN(C(=O)C[C@@H](Cc3ccc(N4CCN(c5ccccc5)C(=O)C4)cc3)NC(=O)OC(C)(C)C)C2)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 7/20 0.43
▸ MAPT P10636 9/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HRH1 P35367 4/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ THRB P10828 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CHRM1 P11229 1/20 0.36

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
SCHEMBL10292170 0.94 MAPT (0.40) TP53MAPTHRH1CYP2D6KCNH2
SCHEMBL762801 0.93 TP53 (0.41) TP53MAPTALDH1A1HRH1CYP2D6
SCHEMBL762671 0.89 TP53 (0.40) TP53ALDH1A1HRH1CYP2D6KCNH2
SCHEMBL762803 0.88 HRH1 (0.41) TP53ALDH1A1HRH1CYP2D6KCNH2
SCHEMBL762570 0.87 HRH1 (0.42) TP53ALDH1A1HRH1CYP2D6KCNH2
SCHEMBL763297 0.87 HRH1 (0.40) TP53ALDH1A1HRH1CYP2D6KCNH2
SCHEMBL762679 0.87 HRH1 (0.40) TP53ALDH1A1HRH1CYP2D6KCNH2
SCHEMBL10292328 0.87 KCNH2 (0.41) TP53MAPTHRH1CYP2D6KCNH2
SCHEMBL763295 0.87 TP53 (0.44) TP53MAPTALDH1A1HRH1CYP2D6
SCHEMBL741564 0.86 MAPT (0.41) TP53MAPTALDH1A1HRH1CYP2D6

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