SCHEMBL7597379

SCHEMBL7597379

C[C@H](c1ccc(Br)cc1)N(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CCCNC(=N)N)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.43
CNR2 P34972 4/20 0.43
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALOX5 P09917 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
EPHX1 P07099 2/20 0.36
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
SCHEMBL7597777 1.00 CNR1 (0.43) CNR1CNR2MEN1KMT2AALOX5
SCHEMBL7595142 0.94 TRPM8 (0.41) CNR1CNR2ALOX5TRPM8
SCHEMBL7595802 0.94 TRPM8 (0.41) CNR1CNR2ALOX5TRPM8
SCHEMBL28032819 0.91 CNR1 (0.42) CNR1CNR2TRPM8
SCHEMBL7598351 0.91 CNR1 (0.42) CNR1CNR2TRPM8
SCHEMBL7596200 0.91 TRPM8 (0.37) CNR1CNR2ALOX5TRPM8
SCHEMBL1382274 0.91 CNR1 (0.42) CNR1CNR2TRPM8
SCHEMBL7597372 0.89 F2 (0.40) CNR1CNR2ALOX5TRPM8
SCHEMBL7595822 0.88 CNR1 (0.47) CNR1CNR2KMT2AALOX5TRPM8
SCHEMBL7600642 0.88 ITGB3 (0.36) CNR1CNR2MEN1KMT2ATRPM8

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-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
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO disclosed