SCHEMBL8587995

SCHEMBL8587995

O=c1[nH]c2cc(F)c(C(O)CCN3CCC[C@@H](Cc4ccccc4)C3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.46
PRMT6 Q96LA8 2/20 0.46
GRIN1 Q05586 4/20 0.42
GRIN2B Q13224 5/20 0.42
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
BCHE P06276 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CCR3 P51677 4/20 0.39
HTR2A P28223 2/20 0.39
CYP2D6 P10635 2/20 0.39
GPR84 Q9NQS5 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
SCHEMBL8543189 1.00 CARM1 (0.46) CARM1PRMT6GRIN1GRIN2BGRIN2D
SCHEMBL8549020 0.89 GRIN2B (0.54) CARM1PRMT6GRIN1GRIN2BGRIN2D
SCHEMBL8544887 0.89 CARM1 (0.46) CARM1PRMT6GRIN1GRIN2BGRIN2D
SCHEMBL8548568 0.89 CARM1 (0.46) CARM1PRMT6GRIN1GRIN2BGRIN2D
SCHEMBL8873050 0.85 GRIN2B (0.52) CARM1PRMT6GRIN1GRIN2BGRIN2D
SCHEMBL8547812 0.85 GRIN2B (0.52) CARM1PRMT6GRIN1GRIN2BGRIN2D
SCHEMBL8542181 0.85 GRIN2B (0.52) CARM1PRMT6GRIN1GRIN2BGRIN2D
SCHEMBL8544030 0.82 GRIN2B (0.55) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL8542199 0.81 CARM1 (0.46) CARM1PRMT6GRIN1GRIN2BGRIN2D
SCHEMBL8548529 0.81 CARM1 (0.46) CARM1PRMT6GRIN1GRIN2BGRIN2D

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 3 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
US-5698553-A Benzylpiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-16 US disclosed
EP-0709384-A1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GmbH (DE) 1996-05-01 EP disclosed