SCHEMBL7595148

SCHEMBL7595148

N=C(N)NCCC[C@H](C(N)=O)N(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.36
CNR2 P34972 3/20 0.35
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
C3AR1 Q16581 1/20 0.33
EPHX2 P34913 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
NPY1R P25929 1/20 0.33
TPSAB1 Q15661 1/20 0.32

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
SCHEMBL7597597 1.00 CNR1 (0.36) CNR1CNR2OPRM1OPRD1OPRK1
SCHEMBL7595122 0.92 CNR1 (0.44) CNR1CNR2OPRM1OPRD1
SCHEMBL7594445 0.92 CNR1 (0.44) CNR1CNR2OPRM1OPRD1
SCHEMBL7596630 0.90 TRPM8 (0.44) CNR1CNR2OPRM1OPRD1OPRK1
SCHEMBL7595802 0.87 TRPM8 (0.41) CNR1CNR2EPHX2TRPM8NPY1R
SCHEMBL7595142 0.87 TRPM8 (0.41) CNR1CNR2EPHX2TRPM8NPY1R
SCHEMBL7594806 0.84 HTR2A (0.40) OPRM1OPRD1OPRK1TRPM8
SCHEMBL7600933 0.84 FOLH1 (0.46)
SCHEMBL7598858 0.84 FOLH1 (0.46)
Hydrochloric Acid SCHEMBL7599219 0.83 HTR2A (0.39) OPRM1OPRD1OPRK1TRPM8

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