SCHEMBL8494331

SCHEMBL8494331

O=C1NC(=O)C(Cc2ccccc2)(C2CC2C(=O)O)N1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 8/20 0.39
CYP3A4 P08684 1/20 0.38
ADAM17 P78536 2/20 0.37
HSD11B1 P28845 1/20 0.36
ADAMTS7 Q9UKP4 2/20 0.36
MMP2 P08253 4/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35

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
SCHEMBL8496434 0.88 ADAMTS7 (0.36) ADAMTS5ADAM17ADAMTS7MMP2MMP9
SCHEMBL8491375 0.87 ADAMTS5 (0.40) ADAMTS5HSD11B1MMP2MMP13GRM2
SCHEMBL8496566 0.85 GRM2 (0.41) ADAMTS5MMP2MMP13GRM2GRM3
SCHEMBL8495956 0.84 GRM2 (0.42) ADAMTS5GRM2GRM3
SCHEMBL8496048 0.84 ADAMTS5 (0.39) ADAMTS5ADAM17ADAMTS7MMP2MMP9
SCHEMBL8490712 0.83 FFAR4 (0.40) ADAMTS5ADAMTS7
SCHEMBL8497135 0.82 ADAMTS5 (0.40) ADAMTS5ADAM17ADAMTS7MMP2MMP13
SCHEMBL8491656 0.82 ADAMTS5 (0.40) ADAMTS5ADAM17ADAMTS7MMP2MMP13
SCHEMBL8490895 0.82 ADAMTS5 (0.40) ADAMTS5ADAM17ADAMTS7MMP2MMP13
SCHEMBL8491658 0.82 ADAMTS5 (0.40) ADAMTS5ADAM17ADAMTS7MMP2MMP13

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-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed