SCHEMBL8873196

SCHEMBL8873196

O=C(CCN1CCC[C@H](Cc2ccccc2)C1)c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.53
GRIN1 Q05586 4/20 0.48
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
BCHE P06276 1/20 0.42

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
SCHEMBL8872456 1.00 GRIN2B (0.53) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8872448 1.00 GRIN2B (0.53) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8542395 0.90 ACHE (0.51) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8547576 0.88 GRIN2B (0.67) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8544330 0.85 CARM1 (0.46) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8543112 0.85 CARM1 (0.46) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8542199 0.85 CARM1 (0.46) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8548529 0.85 CARM1 (0.46) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8542181 0.81 GRIN2B (0.52) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8873050 0.81 GRIN2B (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698553-A Benzylpiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-16 US disclosed