SCHEMBL4747643

SCHEMBL4747643

COc1nc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C(=O)O)n1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.44
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.42
HDAC4 P56524 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DGAT1 O75907 2/20 0.40
HDAC1 Q13547 2/20 0.39
IDO1 P14902 2/20 0.39
ELOVL1 Q9BW60 1/20 0.39
MAPT P10636 2/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL4897672 0.90 FFAR2 (0.40) FFAR2ALDH1A1RECQLHDAC4LMNA
SCHEMBL4789019 0.80 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL4788948 0.75 KMT2A (0.43) ALDH1A1LMNASMN1; SMN2L3MBTL1HDAC1
SCHEMBL4891786 0.71 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2NPSR1MAPT
SCHEMBL4885880 0.70 CNR1 (0.39) ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3441524 0.69 RECQL (0.45) FFAR2ALDH1A1RECQLHDAC4LMNA
SCHEMBL27732382 0.67 SMN1; SMN2 (0.45) ALDH1A1RECQLLMNASMN1; SMN2GAA
SCHEMBL4788013 0.67 ENPP2 (0.43) ALDH1A1SMN1; SMN2MAPT
SCHEMBL4749922 0.66 KDM4E (0.45) ALDH1A1LMNASMN1; SMN2L3MBTL1GAA
SCHEMBL28581488 0.65 SMN1; SMN2 (0.54) ALDH1A1HDAC4LMNASMN1; SMN2L3MBTL1

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
WO-2008130313-A1 IMIDAZOLE DERIVATIVES AS MODULATORS OF THE GABA RECEPTOR FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-2008130313-A1 IMIDAZOLE DERIVATIVES AS MODULATORS OF THE GABA RECEPTOR FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-10-30 WO disclosed