SCHEMBL1388294

SCHEMBL1388294

N=C(N)NCCC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)NCc1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.46
▸ NPY1R P25929 9/20 0.43
▸ NPY5R Q15761 3/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ C3AR1 Q16581 1/20 0.42
▸ NPY4R P50391 2/20 0.41
▸ NPFFR1 Q9GZQ6 2/20 0.40
▸ NPFFR2 Q9Y5X5 2/20 0.40
▸ PADI6 Q6TGC4 1/20 0.40

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
SCHEMBL4650700 0.90 NPY1R (0.55) NPY1RNPY5RNPY2RNPY4RNPFFR1
SCHEMBL8112976 0.88 TACR1 (0.42) TACR1NPY1RNPY5RNPY2RC3AR1
SCHEMBL9280771 0.85 NPY1R (0.44) TACR1NPY1RNPY5RNPY2RC3AR1
SCHEMBL8126577 0.85 NPY1R (0.44) TACR1NPY1RNPY5RNPY2RC3AR1
SCHEMBL9058196 0.81 NPY4R (0.51) NPY1RNPY5RNPY2RNPY4R
SCHEMBL7751919 0.81 MCHR1 (0.53) PADI6
SCHEMBL6801489 0.80 C3AR1 (0.61) TACR1C3AR1
SCHEMBL5319184 0.80 C3AR1 (0.52) TACR1NPY1RNPY5RNPY2RC3AR1
SCHEMBL1388417 0.80 PADI6 (0.44) PADI6
SCHEMBL9058352 0.79 NPY4R (0.57) NPY1RNPY5RNPY2RNPY4R

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 9 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
JP-H08505862-A — — 1996-06-25 — — JP claimed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP claimed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO 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
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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