SCHEMBL7527962

SCHEMBL7527962

O=C(CCN1CCC(Cc2ccc(F)cc2F)CC1)c1ccc2[nH]c(=O)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.55
GRIN1 Q05586 3/20 0.55
GRIN2D O15399 2/20 0.55
GRIN3B O60391 2/20 0.55
GRIN2A Q12879 2/20 0.55
GRIN2C Q14957 2/20 0.55
GRIN3A Q8TCU5 2/20 0.55
DRD2 P14416 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL7529124 0.88 GRIN2B (0.70) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL7528460 0.84 GRIN2B (0.79) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL6998090 0.74 GRIN2B (0.57) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8542333 0.74 GRIN2B (0.73) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL7418720 0.73 GRIN2B (0.74) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL7585018 0.73 GRIN2B (0.51) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8114274 0.72 GRIN2B (0.60) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL1908150 0.71 GRIN2B (1.00) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL7228618 0.71 GRIN2B (0.61) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8872091 0.70 GRIN2B (0.67) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A

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-2002030422-A1 USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA MERCK PATENT GMBH (DE) 2002-04-18 WO disclosed
WO-2002030422-A1 USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA MERCK PATENT GMBH (DE) 2002-04-18 WO disclosed