SCHEMBL7442285

SCHEMBL7442285

O=c1[nH]c2ccc(C#CCCN3CCCCC3Cc3ccccc3)cc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 16/20 0.68

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
SCHEMBL6962120 0.81 GRIN1 (1.00) GRIN1
SCHEMBL7449620 0.81 GRIN1 (0.69) GRIN1
SCHEMBL7246879 0.78 DRD2 (0.54) GRIN1
SCHEMBL8547729 0.75 ALDH1A1 (0.47) GRIN1
SCHEMBL12619204 0.74 GRIN1 (1.00) GRIN1
SCHEMBL8548421 0.74 LMNA (0.43) GRIN1
SCHEMBL13349468 0.71 ALDH1A1 (0.42)
SCHEMBL5888859 0.70 DRD2 (0.41)
SCHEMBL5888846 0.68
SCHEMBL5888885 0.68 DRD2 (0.40)

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-0869791-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-04-28 EP claimed
EP-0869791-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP claimed
WO-1997023214-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO claimed