SCHEMBL4653106

SCHEMBL4653106

N=C(N)NCCC[C@@H](NCc1ccc(O)cc1)C(=O)NC(=O)C(c1ccccc1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPY1R P25929 10/20 0.42
▸ NPY5R Q15761 3/20 0.40
▸ NPY4R P50391 3/20 0.40
▸ NPFFR1 Q9GZQ6 2/20 0.40
▸ NPFFR2 Q9Y5X5 2/20 0.40
▸ NPY2R P49146 2/20 0.40
▸ BDKRB2 P30411 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTR1E P28566 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ S1PR3 Q99500 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
SCHEMBL9202898 0.87 NPY1R (0.40) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4653101 0.87 NPY1R (0.54) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL5057899 0.85 NPY1R (0.53) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8124229 0.85 NPY1R (0.41) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1388761 0.83 NPY1R (0.51) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8111984 0.78 NPY1R (0.56) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL1388704 0.77 TLR2 (0.42) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL4652031 0.77 NPY1R (0.48) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL1388313 0.77 NPY1R (0.44) NPY1RNPY5RNPY4RNPFFR1NPFFR2
SCHEMBL8112566 0.75 TP53 (0.40) TP53CYP1A2CYP3A4CYP2D6TSHR

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 8 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
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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