SCHEMBL7597577

SCHEMBL7597577

C[C@H](c1ccc(OCC2CC2)cc1)N(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CCCNC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
FOLH1 Q04609 3/20 0.41
ALOX5 P09917 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACACA Q13085 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL7598850 0.92 ALOX5 (0.49) FOLH1ALOX5MAPTL3MBTL1HTT
SCHEMBL7600868 0.89 FOLH1 (0.45) CTSSCTSKFOLH1ALOX5MAPT
SCHEMBL7595812 0.89 FOLH1 (0.49) FOLH1DPP8DPP7HTT
SCHEMBL7597839 0.89 FOLH1 (0.49) FOLH1DPP8DPP7HTT
SCHEMBL7597929 0.88 CA1 (0.45) CTSSCTSKFOLH1ALOX5MAPT
SCHEMBL7600355 0.88 CA1 (0.45) CTSSCTSKFOLH1ALOX5MAPT
SCHEMBL7596318 0.88 GPR88 (0.44) GPR88ACACA
SCHEMBL7598409 0.88 CTSS (0.45) CTSSCTSKFOLH1ALOX5GPR88
SCHEMBL7597117 0.87 FOLH1 (0.46) FOLH1DPP8DPP7HTT
SCHEMBL7595116 0.87 FOLH1 (0.46) FOLH1DPP8DPP7HTT

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