SCHEMBL7595802

SCHEMBL7595802

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.41
ALOX5 P09917 1/20 0.38
CNR1 P21554 4/20 0.37
CNR2 P34972 3/20 0.36
MTOR P42345 1/20 0.35
NPY1R P25929 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
EPHX2 P34913 2/20 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
SCHEMBL7595142 1.00 TRPM8 (0.41) TRPM8ALOX5CNR1CNR2MTOR
SCHEMBL28032819 0.95 CNR1 (0.42) TRPM8CNR1CNR2NPY1R
SCHEMBL7598351 0.95 CNR1 (0.42) TRPM8CNR1CNR2NPY1R
SCHEMBL7596200 0.95 TRPM8 (0.37) TRPM8ALOX5CNR1CNR2NPY1R
SCHEMBL1382274 0.95 CNR1 (0.42) TRPM8CNR1CNR2NPY1R
SCHEMBL7597379 0.94 CNR1 (0.43) TRPM8ALOX5CNR1CNR2
SCHEMBL7597777 0.94 CNR1 (0.43) TRPM8ALOX5CNR1CNR2
SCHEMBL7597372 0.93 F2 (0.40) TRPM8ALOX5CNR1CNR2
SCHEMBL7595822 0.92 CNR1 (0.47) TRPM8ALOX5CNR1CNR2
SCHEMBL7600642 0.92 ITGB3 (0.36) TRPM8CNR1CNR2NPY1R

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