SCHEMBL7595296

SCHEMBL7595296

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
TRPM8 Q7Z2W7 3/20 0.42
ALOX5 P09917 3/20 0.42
EPHX1 P07099 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM5 P08912 1/20 0.39
KLK7 P49862 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
SCHEMBL7597931 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10CNR1CNR2TRPM8
Hydrochloric Acid SCHEMBL7600168 0.99 ALDH1A1 (0.46) ALDH1A1HSD17B10CNR1CNR2TRPM8
Hydrochloric Acid SCHEMBL7600447 0.91 ALOX5 (0.42) ALDH1A1HSD17B10TRPM8ALOX5
SCHEMBL7600674 0.91 TRPM8 (0.46) TRPM8ALOX5GAAKMT2A
Hydrochloric Acid SCHEMBL7594995 0.90 TRPM8 (0.45) TRPM8ALOX5GAAKMT2A
Hydrochloric Acid SCHEMBL7601898 0.90 TRPM8 (0.53) ALDH1A1TRPM8ALOX5
SCHEMBL7596331 0.88 TRPM8 (0.41) CNR1CNR2TRPM8ALOX5
Hydrochloric Acid SCHEMBL7596742 0.88 ALDH1A1 (0.41) ALDH1A1HSD17B10CNR1CNR2TRPM8
Hydrochloric Acid SCHEMBL7595022 0.88 ALDH1A1 (0.41) ALDH1A1HSD17B10CNR1CNR2TRPM8
SCHEMBL7598437 0.88 ALOX5 (0.55) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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