SCHEMBL4650854

SCHEMBL4650854

O=C(NC(CCCNc1ncc[nH]1)C(=O)NCc1ccc(O)cc1)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.50
PADI4 Q9UM07 6/20 0.46
PADI2 Q9Y2J8 6/20 0.46
ITGB3 P05106 4/20 0.45
ITGAV P06756 4/20 0.45
ITGA2B P08514 4/20 0.45
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
PADI6 Q6TGC4 2/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
FOLH1 Q04609 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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 0.90 NPY1R (0.42) MCHR1PADI4PADI2ITGB3ITGAV
SCHEMBL7793040 0.87 CHRM2 (0.40) MCHR1PADI4PADI2ITGB3ITGAV
SCHEMBL8119514 0.87 HDAC1 (0.56) MCHR1PADI4PADI2HDAC3HDAC1
SCHEMBL7750601 0.82 NPY1R (0.58)
SCHEMBL7746038 0.80 NPY1R (0.46)
SCHEMBL7750688 0.80 MCHR1 (0.59) MCHR1PADI4PADI2PDE4APDE4B
SCHEMBL8121354 0.78 PTGER4 (0.54) MCHR1PADI4PADI2ITGB3ITGAV
SCHEMBL8112599 0.76 NPY1R (0.51) MCHR1
SCHEMBL4651985 0.75 NPY1R (0.38) MCHR1PADI4PADI2
SCHEMBL8118822 0.75 HDAC1 (0.40) MCHR1ITGB3ITGAVITGA2BHDAC3

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 5 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-B1 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI AVENTIS (FR) 2008-09-17 EP disclosed
US-6313128-B1 CAN BE USED AS LYPOLYSIS/LYPOGENESIS REGULATORS IN THE SKIN WITHOUT, INTERFERRING WITH THE SKIN'S NATURAL FUNCTIONS; FOR THERAPY OF SABORRHEA AND ACNE SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
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