SCHEMBL7600461

SCHEMBL7600461

C[C@H](c1ccc(OCC2CC2)cc1)N(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CCCN)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 9/20 0.46
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ACACB O00763 6/20 0.39
ACACA Q13085 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL7596318 0.87 GPR88 (0.44) GPR88ACACBACACA
SCHEMBL7598437 0.86 ALOX5 (0.55) ACACBALOX5
SCHEMBL7597931 0.86 ALDH1A1 (0.44) ALOX5
SCHEMBL7595296 0.86 ALDH1A1 (0.44) ALOX5
Hydrochloric Acid SCHEMBL7600447 0.86 ALOX5 (0.42) ALOX5
SCHEMBL7600674 0.85 TRPM8 (0.46) ALOX5
Hydrochloric Acid SCHEMBL7600168 0.85 ALDH1A1 (0.46) ALOX5
Hydrochloric Acid SCHEMBL7594995 0.84 TRPM8 (0.45) ALOX5
SCHEMBL7597577 0.84 CTSS (0.46) GPR88ACACAALOX5
SCHEMBL7596331 0.82 TRPM8 (0.41) 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