SCHEMBL8548421

SCHEMBL8548421

O=c1[nH]c2ccc(C(O)CN3CCCCC3Cc3ccccc3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
GRIN2B Q13224 5/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 5/20 0.39
PIK3C3 Q8NEB9 4/20 0.39
ATR Q13535 1/20 0.39
PRKDC P78527 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8542917 0.85 GRIN2B (0.45) LMNAGRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL8546435 0.81 MEN1 (0.48) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8541676 0.79 GRIN2B (0.56) LMNAGRIN2BATMALDH1A1
SCHEMBL8547729 0.78 ALDH1A1 (0.47) LMNAGRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL8873013 0.78 LMNA (0.42) LMNAGRIN2BKMT2AMEN1ATM
SCHEMBL8545550 0.77 GRIN1 (0.45) LMNAGRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL8543096 0.77 GRIN2B (0.47) LMNAGRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL7246879 0.76 DRD2 (0.54) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8543235 0.75 GRIN2B (0.66) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8873050 0.75 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 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