SCHEMBL4651776

SCHEMBL4651776

N=C(N)NCCCC[C@H](C(N)=O)N(Cc1cc(Br)c(N)c(Br)c1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ CALCRL Q16602 2/20 0.35
▸ NPY1R P25929 1/20 0.33
▸ TACR1 P25103 2/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ EPOR P19235 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL1388307 0.97 CNR1 (0.35) CNR1CNR2CALCRLNPY1RTACR1
Hydrochloric Acid SCHEMBL8118676 0.96 CNR1 (0.35) CNR1CNR2CALCRLNPY1RTACR1
SCHEMBL8119637 0.94 CNR1 (0.34) CNR1CNR2NPY1RTACR1ITGB3
SCHEMBL8119338 0.87 MAPT (0.38) —
SCHEMBL8125929 0.86 CALCRL (0.39) CALCRLTACR1EPOR
SCHEMBL30905434 0.86 CNR1 (0.41) CNR1CNR2F10PRSS1EPOR
SCHEMBL1389118 0.86 CNR1 (0.41) CNR1CNR2F10PRSS1EPOR
SCHEMBL4650701 0.86 CNR1 (0.35) CNR1CNR2NPY1RTACR1F10
SCHEMBL4653161 0.85 CNR1 (0.43) CNR1CNR2
SCHEMBL7753050 0.85 NPY1R (0.43) CNR1CNR2NPY1REPOR

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
Send feedback