SCHEMBL8490895

SCHEMBL8490895

O=C1NC(=O)C(CC(c2ccccc2)c2ccccc2)(C2CC2C(=O)O)N1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 12/20 0.40
GRM2 Q14416 2/20 0.39
GRM3 Q14832 2/20 0.39
ALDH1A1 P00352 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ADAMTS7 Q9UKP4 2/20 0.35
MMP2 P08253 2/20 0.34
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33

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
SCHEMBL8497135 1.00 ADAMTS5 (0.40) ADAMTS5GRM2GRM3ALDH1A1KDM4C
SCHEMBL8491658 1.00 ADAMTS5 (0.40) ADAMTS5GRM2GRM3ALDH1A1KDM4C
SCHEMBL8491656 1.00 ADAMTS5 (0.40) ADAMTS5GRM2GRM3ALDH1A1KDM4C
SCHEMBL8491377 0.88 ADAMTS5 (0.40) ADAMTS5GRM2GRM3ALDH1A1KDM4C
SCHEMBL8494662 0.85 ADAMTS5 (0.39) ADAMTS5GRM2GRM3ALDH1A1KDM4C
SCHEMBL8496048 0.84 ADAMTS5 (0.39) ADAMTS5ADAMTS7MMP2MMP13ADAM17
SCHEMBL7395149 0.82 ADAMTS5 (0.45) ADAMTS5ALDH1A1KDM4CADAMTS7MMP2
SCHEMBL7399773 0.82 ADAMTS5 (0.45) ADAMTS5ALDH1A1KDM4CADAMTS7MMP2
SCHEMBL8494331 0.82 ADAMTS5 (0.39) ADAMTS5GRM2GRM3ADAMTS7MMP2
SCHEMBL8493598 0.81 ADAMTS5 (0.38) ADAMTS5ADAMTS7MMP2MMP13ADAM17

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