SCHEMBL13189115

SCHEMBL13189115

CN(CC(c1ccccc1)c1ccccc1)C(=O)[C@H](CCN1CCCCC1)NCC(C)(C)NC(=O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.44
▸ MC5R P33032 2/20 0.44
▸ MC3R P41968 2/20 0.44
▸ MC1R Q01726 2/20 0.44
▸ DRD2 P14416 3/20 0.40
▸ DRD3 P35462 3/20 0.40
▸ UTS2R Q9UKP6 5/20 0.40
▸ CCR5 P51681 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ MCHR1 Q99705 2/20 0.39
▸ TACR2 P21452 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ NOS2 P35228 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
SCHEMBL13691865 0.88 MC4R (0.43) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13691862 0.86 UTS2R (0.43) UTS2RLMNAGAAHTTNOS2
SCHEMBL13691770 0.83 MC4R (0.47) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13190970 0.83 DRD2 (0.51) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13691792 0.82 DRD2 (0.52) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13190971 0.79 MC4R (0.48) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13691856 0.79 DRD2 (0.47) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13188833 0.79 DRD2 (0.46) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13689531 0.77 DRD3 (0.52) DRD2DRD3HSP90AA1
SCHEMBL13190967 0.72 MAPT (0.47) DRD2DRD3UTS2RBCHEACHE

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
WO-2010096854-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC3 AND/OR MC4 RECEPTORS AND TREATMENT OF CONDITIONS RELATED TO THESE RECEPTORS MIMETICA PTY LTD (AU) 2010-09-02 — — WO disclosed
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