SCHEMBL5592205

SCHEMBL5592205

O=C(COCc1ccccc1)N1CCN(CCCN2C(=O)CCCC2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.55
TEAD3 Q99594 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
CHRM1 P11229 2/20 0.47
DRD2 P14416 2/20 0.47
CHRM3 P20309 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47

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
Hydrochloric Acid SCHEMBL5592282 0.99 GRM5 (0.54) GRM5TEAD3SIGMAR1CHRM2CHRM4
SCHEMBL7278874 0.82 SIGMAR1 (0.67) GRM5TEAD3SIGMAR1
SCHEMBL1946924 0.79 GRM5 (0.70) GRM5
SCHEMBL5592310 0.77 GRM5 (0.42) GRM5
Hydrochloric Acid SCHEMBL5592213 0.77 GRM5 (0.41) GRM5
SCHEMBL5592302 0.76 ALDH1A1 (0.39) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL13315137 0.76 GRM5 (0.73) GRM5
Hydrochloric Acid SCHEMBL5592223 0.75 ALDH1A1 (0.39) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL13504007 0.75 GRM5 (0.72) GRM5
SCHEMBL5592139 0.75 GBA1 (0.37) GRM5

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-2007029078-A2 SUCCINIMIDE AND GLUTARIMIDE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO claimed
WO-2007029078-A2 SUCCINIMIDE AND GLUTARIMIDE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed