SCHEMBL7801972

SCHEMBL7801972

O=C(Cc1ccc2ccccc2c1)NC(CCCNc1ncc[nH]1)C(=O)NCc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 4/20 0.42
LCK P06239 1/20 0.41
PADI4 Q9UM07 1/20 0.40
PADI2 Q9Y2J8 1/20 0.40
NPFFR1 Q9GZQ6 2/20 0.40
NPFFR2 Q9Y5X5 2/20 0.40
NPY5R Q15761 1/20 0.40
FCER2 P06734 1/20 0.40
CHRNA1 P02708 2/20 0.39
CHRNG P07510 2/20 0.39
CHRNB1 P11230 2/20 0.39
CHRND Q07001 2/20 0.39
HDAC1 Q13547 1/20 0.39
MCHR1 Q99705 3/20 0.39
GSK3A P49840 1/20 0.39
MAPK10 P53779 1/20 0.39
RIOK2 Q9BVS4 1/20 0.39
MC4R P32245 2/20 0.38
MC3R P41968 2/20 0.38
MC1R Q01726 2/20 0.38

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
SCHEMBL4650854 0.90 MCHR1 (0.50) PADI4PADI2HDAC1MCHR1ITGB3
SCHEMBL7793040 0.88 CHRM2 (0.40) NPY1RPADI4PADI2NPFFR1NPFFR2
SCHEMBL8119514 0.85 HDAC1 (0.56) NPY1RPADI4PADI2NPFFR1NPFFR2
SCHEMBL7750601 0.83 NPY1R (0.58) NPY1RNPFFR1NPFFR2NPY5R
SCHEMBL7746038 0.82 NPY1R (0.46) NPY1RNPFFR1NPFFR2NPY5R
SCHEMBL8112599 0.77 NPY1R (0.51) NPY1RNPFFR1NPFFR2NPY5RMCHR1
SCHEMBL8126906 0.77 PTGER4 (0.51) NPY1RLCKCHRNA1CHRNGCHRNB1
SCHEMBL4651985 0.77 NPY1R (0.38) NPY1RPADI4PADI2NPFFR1NPFFR2
SCHEMBL7751511 0.76 MASP2 (0.48) NPY1RPADI4PADI2NPFFR1NPFFR2
SCHEMBL7801973 0.76 MC3R (0.38) GSK3AMAPK10RIOK2MC4RMC3R

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