SCHEMBL7596331

SCHEMBL7596331

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.41
NPY1R P25929 3/20 0.40
NPY5R Q15761 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALOX5 P09917 3/20 0.39
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
MDM2 Q00987 1/20 0.35
NR1I2 O75469 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 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
Hydrochloric Acid SCHEMBL7600878 0.99 TRPM8 (0.41) TRPM8NPY1RNPY5RCNR1CNR2
SCHEMBL7600674 0.94 TRPM8 (0.46) TRPM8ALOX5HTR2AHRH1MDM2
Hydrochloric Acid SCHEMBL7594995 0.93 TRPM8 (0.45) TRPM8ALOX5HTR2AHRH1MDM2
SCHEMBL7600460 0.90 MEN1 (0.42) TRPM8CNR1CNR2ALOX5HTR2A
SCHEMBL7596315 0.90 MEN1 (0.42) TRPM8CNR1CNR2ALOX5HTR2A
Hydrochloric Acid SCHEMBL7600663 0.90 TRPM8 (0.41) TRPM8ALOX5HTR2AHRH1MDM2
Hydrochloric Acid SCHEMBL7600447 0.88 ALOX5 (0.42) TRPM8NPY5RALOX5
SCHEMBL7597931 0.88 ALDH1A1 (0.44) TRPM8CNR1CNR2ALOX5
SCHEMBL7595296 0.88 ALDH1A1 (0.44) TRPM8CNR1CNR2ALOX5
Hydrochloric Acid SCHEMBL7600168 0.87 ALDH1A1 (0.46) TRPM8CNR1CNR2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed