SCHEMBL7751693

SCHEMBL7751693

N=C(N)NCCC[C@H](NCc1ccc2[nH]ccc2c1)C(=O)NC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 5/20 0.44
▸ MC1R Q01726 5/20 0.44
▸ MC3R P41968 4/20 0.44
▸ PADI4 Q9UM07 1/20 0.42
▸ PADI2 Q9Y2J8 1/20 0.42
▸ MC5R P33032 3/20 0.41
▸ NPY1R P25929 7/20 0.38
▸ F2 P00734 1/20 0.37
▸ TLR2 O60603 1/20 0.36
▸ NPY4R P50391 2/20 0.36
▸ NPY5R Q15761 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ NPFFR1 Q9GZQ6 2/20 0.36
▸ NPFFR2 Q9Y5X5 2/20 0.36

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
SCHEMBL8128352 0.85 PADI4 (0.39) MC4RMC1RMC3RPADI4PADI2
SCHEMBL5057899 0.82 NPY1R (0.53) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL4650707 0.82 NPY1R (0.43) MC4RMC1RMC3RNPY1RTLR2
SCHEMBL1388313 0.82 NPY1R (0.44) MC4RMC1RMC3RNPY1RTLR2
SCHEMBL4651114 0.81 NPY1R (0.45) MC4RMC1RMC3RNPY1RTLR2
SCHEMBL4651537 0.81 CYP3A4 (0.46) MC4RMC1RMC3RNPY1RTLR2
SCHEMBL1388761 0.80 NPY1R (0.51) NPY1RNPY4RNPY5RNPFFR1NPFFR2
SCHEMBL4651777 0.79 CNR1 (0.48) MC4RMC1RMC3RNPY1RTLR2
SCHEMBL4651789 0.79 TRPV1 (0.43) MC4RMC1RMC3RNPY1R
SCHEMBL4651881 0.79 CTSD (0.43) MC4RMC1RMC3RTLR2

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
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