SCHEMBL7400054

SCHEMBL7400054

COc1ccc(CC2CCN(CCOc3ccc(O)cc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.62
SIGMAR1 Q99720 2/20 0.62
LTA4H P09960 3/20 0.61
MAOB P27338 1/20 0.57
DRD3 P35462 1/20 0.54
DRD4 P21917 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53

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
Hydrochloric Acid SCHEMBL7402211 0.99 TMEM97 (0.61) TMEM97SIGMAR1LTA4HMAOBDRD3
SCHEMBL7405065 0.90 TMEM97 (0.62) TMEM97SIGMAR1LTA4HMAOBHRH3
SCHEMBL7405581 0.90 TMEM97 (0.62) TMEM97SIGMAR1LTA4HMAOBHRH3
Hydrochloric Acid SCHEMBL7406531 0.89 TMEM97 (0.61) TMEM97SIGMAR1LTA4HMAOBHRH3
SCHEMBL7397849 0.88 SIGMAR1 (0.62) TMEM97SIGMAR1LTA4HMAOBDRD4
SCHEMBL7397997 0.88 TMEM97 (0.62) TMEM97SIGMAR1LTA4HMAOBHRH3
SCHEMBL27983127 0.88 TMEM97 (0.62) TMEM97SIGMAR1LTA4HMAOBHRH3
SCHEMBL7404192 0.88 TMEM97 (0.62) TMEM97SIGMAR1LTA4HHRH3
SCHEMBL3926715 0.88 TMEM97 (0.62) TMEM97SIGMAR1LTA4HMAOBHRH3
SCHEMBL7404295 0.87 TMEM97 (0.82) TMEM97SIGMAR1LTA4HMAOBDRD4

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