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Sugi Predict / Compounds / SCHEMBL13921769

SCHEMBL13921769

SCHEMBL13921769

COc1ccccc1Nc1nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc2n1CCCN1CCCC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 20/20 0.78
▸ MC5R P33032 1/20 0.71
▸ MC3R P41968 1/20 0.71
▸ MC1R Q01726 1/20 0.71

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
SCHEMBL13124818 0.88 MC4R (0.81) MC4RMC5RMC3RMC1R
SCHEMBL13125014 0.87 MC4R (1.00) MC4RMC5RMC3RMC1R
SCHEMBL13124620 0.87 MC4R (0.85) MC4RMC5RMC3RMC1R
SCHEMBL13124698 0.86 MC4R (0.98) MC4RMC5RMC3RMC1R
SCHEMBL13124288 0.85 MC4R (1.00) MC4RMC5RMC3RMC1R
SCHEMBL13123895 0.85 MC4R (0.98) MC4RMC5RMC3RMC1R
SCHEMBL13124963 0.85 MC4R (0.97) MC4RMC5RMC3RMC1R
SCHEMBL13123897 0.85 MC4R (1.00) MC4RMC5RMC3RMC1R
SCHEMBL13124693 0.84 MC4R (0.77) MC4RMC5RMC3RMC1R
SCHEMBL13124896 0.84 MC4R (0.98) MC4RMC5RMC3RMC1R

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-7501524-B2 Derivatives of benzimidazole and imidazo-pyridine and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-03-10 — — US disclosed
US-7501524-B2 Derivatives of benzimidazole and imidazo-pyridine and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-03-10 — — US disclosed
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