SCHEMBL6964707

SCHEMBL6964707

NC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.64
SLC1A2 P43004 1/20 0.64
SLC1A1 P43005 1/20 0.64
F2 P00734 4/20 0.56
MMP2 P08253 7/20 0.52
MMP9 P14780 7/20 0.52
ALDH1A1 P00352 1/20 0.51
KAT6A Q92794 2/20 0.51
POLB P06746 1/20 0.51
ADAMTS4 O75173 3/20 0.50
LARS1 Q9P2J5 1/20 0.50
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49

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
SCHEMBL7955730 1.00 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1F2MMP2
Hydrochloric Acid SCHEMBL7654060 0.99 SLC1A3 (0.62) SLC1A3SLC1A2SLC1A1F2MMP2
SCHEMBL6434896 0.87 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1F2MMP2
SCHEMBL7340546 0.87 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1F2MMP2
SCHEMBL26606040 0.86 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1F2MMP2
SCHEMBL4925888 0.86 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1F2MMP2
SCHEMBL26606049 0.86 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1F2MMP2
SCHEMBL4925885 0.86 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1F2MMP2
SCHEMBL8388664 0.86 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1F2MMP2
SCHEMBL8388668 0.86 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1F2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
EP-1098878-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
EP-1098889-A1 SUBSTITUTED PIPERAZONES AND THEIR THERAPEUTIC USES LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
WO-2000004001-A1 SUBSTITUTED PIPERAZONES AND THEIR THERAPEUTIC USES LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed
WO-2000003986-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed