SCHEMBL8549020

SCHEMBL8549020

O=c1[nH]c2cc(F)c(C(O)CCN3CCC(Cc4ccccc4)CC3)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.54
GRIN1 Q05586 4/20 0.54
GRIN2D O15399 2/20 0.54
GRIN3B O60391 2/20 0.54
GRIN2A Q12879 2/20 0.54
GRIN2C Q14957 2/20 0.54
GRIN3A Q8TCU5 2/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
PRMT3 O60678 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT1 Q99873 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CCR3 P51677 1/20 0.45
GPR84 Q9NQS5 1/20 0.45

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
SCHEMBL8544030 0.92 GRIN2B (0.55) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8587995 0.89 CARM1 (0.46) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8543189 0.89 CARM1 (0.46) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8546790 0.88 GRIN2B (0.54) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8543235 0.85 GRIN2B (0.66) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8542871 0.82 GRIN2B (0.54) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8544678 0.79 GRIN2B (0.55) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8544509 0.79 GRIN2B (0.67) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8544887 0.78 CARM1 (0.46) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8548568 0.78 CARM1 (0.46) 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
EP-0709384-B1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GMBH (DE) 1998-12-23 EP disclosed
EP-0709384-A1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GmbH (DE) 1996-05-01 EP disclosed