SCHEMBL7750469

SCHEMBL7750469

N=C(N)CCCC[C@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPY1R P25929 8/20 0.36
NPFFR1 Q9GZQ6 2/20 0.36
NPFFR2 Q9Y5X5 2/20 0.36
NPY5R Q15761 1/20 0.36
NPY4R P50391 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
EPHX1 P07099 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
EPOR P19235 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33

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
Hydrochloric Acid SCHEMBL8120018 0.99 TDP1 (0.37) TDP1MEN1KMT2ANPY1RNPFFR1
SCHEMBL8119409 0.88 EPOR (0.43) TDP1MEN1KMT2ANPY1RNPFFR1
SCHEMBL1389094 0.87 TDP1 (0.38) TDP1MEN1KMT2ANPY1RNPFFR1
SCHEMBL8126608 0.87 TDP1 (0.41) TDP1MEN1KMT2ANPY1RNPFFR1
SCHEMBL7753050 0.87 NPY1R (0.43) TDP1NPY1RNPFFR1NPFFR2NPY5R
SCHEMBL8126197 0.87 NPY1R (0.43) TDP1NPY1RNPFFR1NPFFR2NPY5R
Hydrochloric Acid SCHEMBL8120628 0.86 EPOR (0.41) TDP1MEN1KMT2ANPY1RNPFFR1
SCHEMBL1593414 0.85 NPY1R (0.42) TDP1NPY1RNPFFR1NPFFR2NPY5R
SCHEMBL7038181 0.85 TDP1 (0.43) TDP1MEN1KMT2ANPY1RNPFFR1
SCHEMBL8112100 0.84 TDP1 (0.44) TDP1MEN1KMT2ANPY1RNPFFR1

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 4 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-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