SCHEMBL22330263

SCHEMBL22330263

C=C1CCN(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
P2RX7 Q99572 2/20 0.47
EGLN1 Q9GZT9 2/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
KDM4E B2RXH2 2/20 0.42
KCNH2 Q12809 3/20 0.41
DRD3 P35462 1/20 0.41
GRM2 Q14416 3/20 0.41
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL22728442 0.85 EGLN1 (0.40) ALDH1A1EGLN1ERCC1ERCC4SMN1; SMN2
SCHEMBL7837188 0.84 DDB1 (0.56) SIGMAR1SMN1; SMN2DDB1CRBNL3MBTL1
SCHEMBL30109416 0.80 KDM4E (0.49) ALDH1A1KDM4EKCNH2SIGMAR1SMN1; SMN2
SCHEMBL8363891 0.74 ERCC1 (0.48) ALDH1A1P2RX7ERCC1ERCC4KCNH2
SCHEMBL8540645 0.72 GAA (0.55) ALDH1A1GRM2SIGMAR1SMN1; SMN2
SCHEMBL10399987 0.71 L3MBTL1 (0.67) ALDH1A1ERCC1ERCC4KDM4EKCNH2
SCHEMBL6936734 0.71 ALOX5 (0.43) DRD3L3MBTL1HPGD
SCHEMBL4141868 0.71 ERCC1 (0.44) ALDH1A1P2RX7ERCC1ERCC4KDM4E
SCHEMBL15038459 0.71 ERCC1 (0.54) ALDH1A1P2RX7ERCC1ERCC4KDM4E
SCHEMBL13924866 0.70 ERCC1 (0.50) ALDH1A1P2RX7ERCC1ERCC4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362441-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-08-12 EP disclosed