SCHEMBL7746039

SCHEMBL7746039

NC(=O)[C@@H](CCCNc1ncc[nH]1)N(Cc1ccc(O)cc1)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
ITGAV P06756 2/20 0.33
NPY1R P25929 4/20 0.32
ROCK2 O75116 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
KCNH2 Q12809 1/20 0.31
AKT3 Q9Y243 1/20 0.31
MAPT P10636 1/20 0.31
EPOR P19235 1/20 0.31
NPFFR1 Q9GZQ6 2/20 0.30
NPFFR2 Q9Y5X5 2/20 0.30
NPY5R Q15761 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL7750605 0.88 NPY1R (0.33) ITGB3ITGA2BITGAVNPY1REPOR
SCHEMBL8112600 0.82 ITGB3 (0.33) ITGB3ITGA2BITGAVEPOR
SCHEMBL7750609 0.82 ROCK1 (0.38) ITGB3ITGA2BITGAVROCK2MAPT
Hydrochloric Acid SCHEMBL8120478 0.81 ITGB3 (0.38) ITGB3ITGA2BITGAV
SCHEMBL8119519 0.80 NPC1 (0.38) MAPT
SCHEMBL4650858 0.80 ITGB3 (0.38) ITGB3ITGA2BITGAV
SCHEMBL7801973 0.80 MC3R (0.38) ITGB3ITGA2BITGAV
Iodide SCHEMBL8585363 0.78 NPY1R (0.37) ITGB3ITGA2BNPY1RNPY5R
SCHEMBL7751629 0.78 NR1H3 (0.40) ITGB3ITGA2BITGAVMAPTEPOR
SCHEMBL8126673 0.78 NPY1R (0.33) NPY1RMAPTNPFFR1NPFFR2NPY5R

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
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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed