SCHEMBL13190971

SCHEMBL13190971

CN(CC(c1ccccc1)c1ccccc1)C(=O)[C@H](CN1CCCCC1)NCCNC(=O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.48
▸ MC5R P33032 2/20 0.48
▸ MC3R P41968 2/20 0.48
▸ MC1R Q01726 2/20 0.48
▸ DRD2 P14416 5/20 0.46
▸ DRD3 P35462 5/20 0.46
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ NLRP3 Q96P20 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CHRM1 P11229 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ MCHR1 Q99705 2/20 0.41
▸ NTSR1 P30989 1/20 0.40
▸ UTS2R Q9UKP6 1/20 0.39

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
SCHEMBL13190970 0.90 DRD2 (0.51) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13691792 0.90 DRD2 (0.52) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13689531 0.84 DRD3 (0.52) DRD2DRD3KMT2A
SCHEMBL13190967 0.84 MAPT (0.47) DRD2DRD3BCHEACHEMAPT
SCHEMBL13691856 0.83 DRD2 (0.47) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13691770 0.81 MC4R (0.47) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13188833 0.80 DRD2 (0.46) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13189115 0.79 MC4R (0.44) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13691853 0.77 MAPT (0.44) DRD2DRD3BCHEACHEMAPT
SCHEMBL13691865 0.76 MC4R (0.43) MC4RMC5RMC3RMC1RDRD2

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-2010096853-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC1 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2010-09-02 — — WO disclosed
Send feedback