SCHEMBL7365726

SCHEMBL7365726

O=C(O)C(CCc1cccc(Br)c1)C1CC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
KDM1A O60341 1/20 0.38
GRM2 Q14416 5/20 0.38
GRM3 Q14832 5/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL7400111 0.85 GRM2 (0.52) TAAR1GRM2GRM3ALDH1A1CYP1A2
SCHEMBL7364857 0.85 GRM2 (0.52) KDM1AGRM2GRM3
SCHEMBL7396689 0.84 KMT2A (0.37) CTDSP1GRM2GRM3ALDH1A1CYP1A2
SCHEMBL7362960 0.81 GRM2 (0.55) TAAR1GRM2GRM3ALDH1A1CYP1A2
SCHEMBL7360104 0.80 CYP1A2 (0.46) CYP1A2
SCHEMBL7401586 0.77 SLC7A5 (0.38) GRM2GRM3ALDH1A1CYP1A2
SCHEMBL7399248 0.76 HSD17B10 (0.45) GRM2GRM3ALDH1A1FFAR4
SCHEMBL7361669 0.76 SMN1; SMN2 (0.42) TDP1L3MBTL1GRM2GRM3ALDH1A1
SCHEMBL7364664 0.76 RARB (0.38) GRM2GRM3ALDH1A1
SCHEMBL7366774 0.76 GRM2 (0.48) TAAR1GRM2GRM3FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed