SCHEMBL8546005

SCHEMBL8546005

O=c1[nH]c2cc(Cl)c(C(O)CCN3CCC(Cc4ccccc4)CC3)cc2o1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
GRIN2B Q13224 7/20 0.50
GRIN2D O15399 4/20 0.50
GRIN3B O60391 4/20 0.50
GRIN2A Q12879 4/20 0.50
GRIN2C Q14957 4/20 0.50
GRIN3A Q8TCU5 4/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 2/20 0.43

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
SCHEMBL8872814 0.90 MEN1 (0.47) GRIN1MEN1KMT2ALMNAMAPT
SCHEMBL8546732 0.90 MEN1 (0.47) GRIN1MEN1KMT2ALMNAMAPT
SCHEMBL8548361 0.90 MEN1 (0.47) GRIN1MEN1KMT2ALMNAMAPT
SCHEMBL8546790 0.86 GRIN2B (0.54) GRIN1MEN1KMT2AGRIN2BGRIN2D
SCHEMBL8545088 0.85 GRIN1 (0.64) GRIN1MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL8541316 0.83 MEN1 (0.47) GRIN1MEN1KMT2ALMNAMAPT
Hydrochloric Acid SCHEMBL8591425 0.83 MEN1 (0.47) GRIN1MEN1KMT2ALMNAMAPT
SCHEMBL8546472 0.81 GRIN1 (0.60) GRIN1MEN1KMT2ALMNAMAPT
SCHEMBL6162227 0.79 MEN1 (0.56) GRIN1MEN1KMT2ALMNAMAPT
SCHEMBL8542871 0.77 GRIN2B (0.54) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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