SCHEMBL7793040

SCHEMBL7793040

O=C(Nc1ccc2ccccc2c1)NC(CCCNc1ncc[nH]1)C(=O)NCc1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PADI4 Q9UM07 1/20 0.39
PADI2 Q9Y2J8 1/20 0.39
IMPDH2 P12268 1/20 0.38
NAMPT P43490 1/20 0.38
FOLH1 Q04609 3/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
NPY1R P25929 3/20 0.38
NPFFR1 Q9GZQ6 2/20 0.38
NPFFR2 Q9Y5X5 2/20 0.38
NPY5R Q15761 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MCHR1 Q99705 1/20 0.37
PTGES O14684 2/20 0.36
EPHX1 P07099 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
SCHEMBL7801972 0.88 NPY1R (0.42) PADI4PADI2ITGB3ITGAVITGA2B
SCHEMBL4650854 0.87 MCHR1 (0.50) PADI4PADI2FOLH1ITGB3ITGAV
SCHEMBL7746038 0.82 NPY1R (0.46) NPY1RNPFFR1NPFFR2NPY5R
SCHEMBL8119514 0.82 HDAC1 (0.56) PADI4PADI2NPY1RNPFFR1NPFFR2
SCHEMBL7750601 0.81 NPY1R (0.58) NPY1RNPFFR1NPFFR2NPY5R
SCHEMBL8121288 0.78 SIRT5 (0.49) CHRM2CHRM1CHRM3FOLH1ITGB3
SCHEMBL7750609 0.75 ROCK1 (0.38) ITGB3ITGAVITGA2BKDM4E
SCHEMBL8112599 0.75 NPY1R (0.51) NPY1RNPFFR1NPFFR2NPY5RMCHR1
SCHEMBL4651985 0.74 NPY1R (0.38) PADI4PADI2NPY1RNPFFR1NPFFR2
SCHEMBL7751511 0.73 MASP2 (0.48) PADI4PADI2NPY1RNPFFR1NPFFR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP claimed
EP-1093803-A2 Cosmetic composition comprising antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-04-25 EP disclosed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed