SCHEMBL7596641

SCHEMBL7596641

COc1ccc([C@@H](C)N(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=N)N)C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
BMP1 P13497 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.40
EPHX1 P07099 1/20 0.40
CASR P41180 2/20 0.39
GAA P10253 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 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
SCHEMBL7595822 1.00 CNR1 (0.47) CNR1CNR2BMP1ALDH1A1NPSR1
SCHEMBL7597372 0.93 F2 (0.40) CNR1CNR2BMP1TRPM8ALOX5
SCHEMBL7595802 0.92 TRPM8 (0.41) CNR1CNR2TRPM8ALOX5
SCHEMBL7595142 0.92 TRPM8 (0.41) CNR1CNR2TRPM8ALOX5
SCHEMBL7598459 0.92 TRPM8 (0.49) CNR1CNR2CASRTRPM8ALOX5
SCHEMBL7594442 0.91 CNR1 (0.44) CNR1CNR2BMP1ALDH1A1NPSR1
SCHEMBL7600900 0.91 CNR1 (0.46) CNR1CNR2BMP1ALDH1A1NPSR1
SCHEMBL7598031 0.90 CNR1 (0.47) CNR1CNR2BMP1ALDH1A1NPSR1
Iodide SCHEMBL7600457 0.90 CNR1 (0.43) CNR1CNR2BMP1ALDH1A1NPSR1
SCHEMBL7594445 0.90 CNR1 (0.44) CNR1CNR2BMP1ALDH1A1NPSR1

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