SCHEMBL7402467

SCHEMBL7402467

Cc1ccc(CC2CCN(CCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.56
DRD1 P21728 1/20 0.53
GRIN1 Q05586 3/20 0.52
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
LTA4H P09960 1/20 0.49
MAOB P27338 2/20 0.48

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
SCHEMBL7405785 0.90 DRD2 (0.58) DRD2DRD1GRIN1TMEM97SIGMAR1
SCHEMBL7403098 0.90 DRD2 (0.55) DRD2DRD1GRIN1TMEM97SIGMAR1
SCHEMBL7405516 0.89 DRD2 (0.66) DRD2DRD1GRIN1TMEM97SIGMAR1
SCHEMBL7505451 0.83 TMEM97 (0.70) TMEM97SIGMAR1LTA4HMAOB
SCHEMBL7402464 0.80 TMEM97 (0.51) TMEM97SIGMAR1LTA4HMAOB
SCHEMBL7404779 0.79 GRIN1 (0.60) DRD2DRD1GRIN1TMEM97SIGMAR1
SCHEMBL7401035 0.79 GRIN1 (0.60) DRD2DRD1GRIN1TMEM97SIGMAR1
SCHEMBL7403024 0.79 TMEM97 (0.65) DRD2TMEM97SIGMAR1LTA4HMAOB
SCHEMBL7401860 0.79 DRD2 (0.66) DRD2DRD1GRIN1TMEM97SIGMAR1
SCHEMBL7403802 0.78 MAOB (0.59) TMEM97SIGMAR1LTA4HMAOB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP claimed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP claimed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO claimed
US-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed