SCHEMBL7058207

SCHEMBL7058207

N=C(N)c1cccc(C[C@@H](C(N)=O)N(Cc2ccc(O)cc2)C(=O)C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
F10 P00742 12/20 0.40
TRPM8 Q7Z2W7 2/20 0.39
F2 P00734 5/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
GLI1 P08151 1/20 0.37
GLI2 P10070 1/20 0.37
PLAU P00749 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6900983 1.00 PRSS1 (0.41) PRSS1PRSS2PRSS3F10TRPM8
Hydrochloric Acid SCHEMBL8122656 0.99 PRSS1 (0.40) PRSS1PRSS2PRSS3F10TRPM8
SCHEMBL8121716 0.92 SLC6A4 (0.43) TRPM8GLI1GLI2MEN1KMT2A
SCHEMBL8526150 0.91 PLAU (0.41) PRSS1PRSS2PRSS3F10TRPM8
SCHEMBL1388852 0.90 TPSAB1 (0.39) PRSS1PRSS2PRSS3F10F2
Hydrochloric Acid SCHEMBL8112935 0.89 TPSAB1 (0.38) PRSS1PRSS2PRSS3F10F2
SCHEMBL1389004 0.89 F10 (0.44) PRSS1PRSS2PRSS3F10F2
SCHEMBL8526765 0.89 F10 (0.45) PRSS1PRSS2PRSS3F10F2
SCHEMBL8121972 0.88 TRPM8 (0.38) TRPM8GLI1GLI2PLAUMEN1
Hydrochloric Acid SCHEMBL8121834 0.88 F10 (0.43) PRSS1PRSS2PRSS3F10F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337257-A4 USE OF NEUROPEPTIDE-Y ANTAGONISTS IN TREATMENT OF ALCOHOLISM UNIV CALIFORNIA (US) 2004-04-07 EP disclosed
EP-1337257-A1 USE OF NEUROPEPTIDE-Y ANTAGONISTS IN TREATMENT OF ALCOHOLISM The Regents of the University of California (US) 2003-08-27 EP disclosed
WO-2002028393-A1 USE OF NEUROPEPTIDE-Y ANTAGONISTS IN TREATMENT OF ALCOHOLISM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-04-11 WO disclosed