SCHEMBL6900316

SCHEMBL6900316

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.40
CNR2 P34972 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
TPSAB1 Q15661 1/20 0.34
NPY1R P25929 1/20 0.34
ACKR3 P25106 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL7751753 0.95 CNR1 (0.41) CNR1CNR2TDP1EPHX2MEN1
SCHEMBL1388356 0.92 TDP1 (0.37) CNR1CNR2TDP1MEN1KMT2A
SCHEMBL30905434 0.92 CNR1 (0.41) CNR1CNR2TDP1MEN1KMT2A
SCHEMBL1389118 0.92 CNR1 (0.41) CNR1CNR2TDP1MEN1KMT2A
SCHEMBL8527214 0.91 CNR1 (0.39) CNR1CNR2TDP1MEN1KMT2A
Water SCHEMBL8125040 0.91 TDP1 (0.36) CNR1CNR2TDP1MEN1KMT2A
SCHEMBL4651831 0.91 CNR1 (0.42) CNR1CNR2TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL8120910 0.90 CNR1 (0.41) CNR1CNR2TDP1MEN1KMT2A
SCHEMBL1593414 0.90 NPY1R (0.42) CNR1CNR2TDP1NPY1R
SCHEMBL8121426 0.89 TPSAB1 (0.39) CNR1CNR2TDP1MEN1KMT2A

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 6 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-20040029953-A1 Use of neuropeptide-y antagonists in treatment of alcoholism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-02-12 US 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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO disclosed