SCHEMBL7141333

SCHEMBL7141333

C=C(C)N1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
OGA O60502 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AOC3 Q16853 1/20 0.41
CASP6 P55212 1/20 0.41
GFER P55789 1/20 0.41
MAP4K4 O95819 1/20 0.39
AKR1C3 P42330 1/20 0.39
UBE2T Q9NPD8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 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
SCHEMBL736846 0.84 CASP6 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19998348 0.83 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29499599 0.83 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7141331 0.80 HRH3 (0.53) ALDH1A1UBE2TMEN1CYP1A2CYP2C9
SCHEMBL2456399 0.79 ME2 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL55623 0.78 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29537043 0.78 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3629277 0.78 CKS1B (0.54) AOC3SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL3638387 0.78 MAP4K4 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3672663 0.78 CKS1B (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-1289982-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2003-03-12 EP disclosed
WO-2001096327-A1 BIOISOSTERIC BENZAMIDE DERIVATIVES AND THEIR USE AS APoB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-12-20 WO disclosed