SCHEMBL7598459

SCHEMBL7598459

COc1cccc([C@@H](C)N(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=N)N)C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.49
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CASR P41180 1/20 0.40
F2 P00734 1/20 0.40
F7 P08709 1/20 0.40
GPR139 Q6DWJ6 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL7596641 0.92 CNR1 (0.47) TRPM8ALOX5CASRCNR1CNR2
SCHEMBL7595822 0.92 CNR1 (0.47) TRPM8ALOX5CASRCNR1CNR2
SCHEMBL7595142 0.89 TRPM8 (0.41) TRPM8MTNR1AMTNR1BTDP1ALOX5
SCHEMBL7595802 0.89 TRPM8 (0.41) TRPM8MTNR1AMTNR1BTDP1ALOX5
SCHEMBL7597372 0.89 F2 (0.40) TRPM8ALOX5F2F7CNR1
SCHEMBL7595325 0.87 F7 (0.38) TRPM8MTNR1AMTNR1BF2F7
SCHEMBL7600469 0.87 TRPM8 (0.46) TRPM8MTNR1AMTNR1BTDP1
Hydrochloric Acid SCHEMBL7601898 0.86 TRPM8 (0.53) TRPM8MTNR1AMTNR1BTDP1ALOX5
SCHEMBL7598351 0.85 CNR1 (0.42) TRPM8CNR1CNR2
SCHEMBL7596200 0.85 TRPM8 (0.37) TRPM8ALOX5CASRDRD3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP claimed
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP claimed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO claimed
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed