SCHEMBL4653161

SCHEMBL4653161

N=C(N)NCCC[C@H](C(N)=O)N(Cc1ccc(Br)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.43
CNR2 P34972 2/20 0.43
EPHX1 P07099 1/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ACKR3 P25106 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S1PR3 Q99500 1/20 0.34

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
Hydrochloric Acid SCHEMBL8121481 0.99 CNR1 (0.43) CNR1CNR2EPHX1MEN1KMT2A
SCHEMBL30905434 0.93 CNR1 (0.41) CNR1CNR2MEN1KMT2ATDP1
SCHEMBL1389118 0.93 CNR1 (0.41) CNR1CNR2MEN1KMT2ATDP1
SCHEMBL4651831 0.92 CNR1 (0.42) CNR1CNR2MEN1KMT2ATDP1
SCHEMBL7753039 0.91 NPY4R (0.38) CNR1CNR2
SCHEMBL1388356 0.91 TDP1 (0.37) CNR1CNR2MEN1KMT2ATDP1
SCHEMBL1593414 0.91 NPY1R (0.42) CNR1CNR2TDP1
Hydrochloric Acid SCHEMBL8120910 0.91 CNR1 (0.41) CNR1CNR2MEN1KMT2ATDP1
SCHEMBL8059066 0.90 CNR1 (0.47) CNR1CNR2EPHX1MEN1KMT2A
SCHEMBL4653109 0.90 TPSAB1 (0.39) CNR1CNR2MEN1KMT2ATDP1

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
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
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