SCHEMBL7399063

SCHEMBL7399063

NCc1cccc(CC#CCN2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.56
GRIN2B Q13224 4/20 0.56
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
PRMT3 O60678 1/20 0.53
CARM1 Q86X55 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
PRMT1 Q99873 1/20 0.53
PRMT8 Q9NR22 1/20 0.53
CCR3 P51677 1/20 0.50

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
SCHEMBL7401789 0.88 GRIN1 (0.56) GRIN1GRIN2BLMNAHTTPRMT3
SCHEMBL7404039 0.84 GRIN1 (0.55) GRIN1GRIN2BLMNAHTTPRMT3
SCHEMBL7402973 0.80 GRIN2B (0.77) GRIN1GRIN2BLMNAHTT
SCHEMBL7403298 0.80 GRIN1 (0.58) GRIN1GRIN2BLMNAHTTCCR3
SCHEMBL6973793 0.77 GRIN2B (0.66) GRIN1GRIN2B
SCHEMBL7404217 0.77 GAA (0.70) GRIN1GRIN2BLMNAHTT
SCHEMBL7406534 0.77 HTT (0.57) GRIN1GRIN2BLMNAHTT
SCHEMBL7253294 0.77 GRIN1 (0.65) GRIN1GRIN2BLMNAHTTPRMT3
SCHEMBL7406473 0.77 GRIN1 (0.77) GRIN1
SCHEMBL7407919 0.77 GRIN1 (0.77) GRIN1GRIN2BLMNAHTT

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 6 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
EP-0869791-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-04-28 EP disclosed
EP-0869791-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023214-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed