SCHEMBL4651114

SCHEMBL4651114

Cc1cc(CN[C@@H](CCCNC(=N)N)C(=O)NC(=O)C(c2ccccc2)c2ccccc2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 14/20 0.45
▸ MC4R P32245 1/20 0.42
▸ MC3R P41968 1/20 0.42
▸ MC1R Q01726 1/20 0.42
▸ TLR2 O60603 1/20 0.40
▸ NPFFR1 Q9GZQ6 2/20 0.39
▸ NPFFR2 Q9Y5X5 2/20 0.39
▸ NPY5R Q15761 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ERCC1 P07992 1/20 0.39
▸ ERCC4 Q92889 1/20 0.39
▸ NPY4R P50391 2/20 0.38

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
SCHEMBL4651789 0.89 TRPV1 (0.43) NPY1RMC4RMC3RMC1RMEN1
SCHEMBL4651537 0.87 CYP3A4 (0.46) NPY1RMC4RMC3RMC1RTLR2
SCHEMBL5057899 0.87 NPY1R (0.53) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL4650707 0.86 NPY1R (0.43) NPY1RMC4RMC3RMC1RTLR2
SCHEMBL8120923 0.84 NPY1R (0.39) NPY1RMC4RMC3RMC1RTLR2
SCHEMBL1388761 0.84 NPY1R (0.51) NPY1RNPFFR1NPFFR2NPY5RNPY4R
SCHEMBL1388313 0.84 NPY1R (0.44) NPY1RMC4RMC3RMC1RTLR2
SCHEMBL4651777 0.83 CNR1 (0.48) NPY1RMC4RMC3RMC1RTLR2
SCHEMBL4651881 0.83 CTSD (0.43) MC4RMC3RMC1RTLR2
SCHEMBL7751693 0.81 MC4R (0.44) NPY1RMC4RMC3RMC1RTLR2

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
EP-1093803-B1 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI AVENTIS (FR) 2008-09-17 — — EP disclosed
WO-2007077333-A2 USE OF A NEUROPEPTIDE Y ANTAGONIST FOR DAMAGED OR SENSITIVE LIPS L'OREAL (FR) 2007-07-12 — — WO disclosed
EP-0838217-B1 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI SYNTHELABO (FR) 2003-01-15 — — 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-1132463-A2 Cosmetic composition comprising an antagonist of the neuropeptide Y receptor SANOFI-SYNTHELABO (FR) 2001-09-12 — — EP 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-0838217-A2 Cosmetic composition containing neuropeptide Y receptor antagonist SANOFI (FR) 1998-04-29 — — EP disclosed
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