SCHEMBL8495190

SCHEMBL8495190

O=C1NC(=O)C(CCc2ccc(Br)cc2)(C2CC2C(=O)O)N1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 10/20 0.37
MMP2 P08253 5/20 0.37
MMP13 P45452 5/20 0.37
ADAMTS4 O75173 4/20 0.37
MMP3 P08254 4/20 0.37
MMP12 P39900 4/20 0.37
MMP14 P50281 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FPR2 P25090 5/20 0.33
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP1 P03956 1/20 0.32
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31

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
SCHEMBL8491375 0.89 ADAMTS5 (0.40) ADAMTS5MMP2MMP13ADAMTS4MMP3
SCHEMBL8496482 0.88 ADAMTS7 (0.42) ADAMTS5MMP2MMP13ADAMTS4MMP3
SCHEMBL8495222 0.88 ADAMTS7 (0.40) ADAMTS5MMP2MMP13ADAMTS4MMP3
SCHEMBL8493121 0.88 GRM2 (0.42) ADAMTS5MMP2MMP13ADAMTS4MMP3
SCHEMBL8494417 0.86 ADAMTS5 (0.39) ADAMTS5MMP2MMP13ADAMTS4CTDSP1
SCHEMBL8497401 0.85 NPSR1 (0.53) ADAMTS5MMP2MMP13ADAMTS4SMN1; SMN2
SCHEMBL8496487 0.85 ADAMTS5 (0.38) ADAMTS5MMP2MMP13ADAMTS4MMP3
SCHEMBL8491697 0.85 ADAMTS4 (0.53) ADAMTS5MMP2MMP13ADAMTS4MMP3
SCHEMBL8491009 0.83 ADAMTS5 (0.38) ADAMTS5MMP2MMP13ADAMTS4MMP14
SCHEMBL8495680 0.83 ADAMTS5 (0.42) ADAMTS5MMP2MMP13ADAMTS4MMP3

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