SCHEMBL7401100

SCHEMBL7401100

Cc1ccc(CC2CCN(CCOc3ccc(N)cc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.62
SIGMAR1 Q99720 2/20 0.62
LTA4H P09960 3/20 0.61
HRH3 Q9Y5N1 4/20 0.55
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
MAOB P27338 2/20 0.49
KDM1A O60341 1/20 0.49
OPRM1 P35372 1/20 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
SCHEMBL7505451 0.94 TMEM97 (0.70) TMEM97SIGMAR1LTA4HHRH3MAOB
SCHEMBL7405461 0.90 TMEM97 (0.62) TMEM97SIGMAR1LTA4HHRH3PTGS1
SCHEMBL7404898 0.88 SIGMAR1 (0.62) TMEM97SIGMAR1LTA4HHRH3PTGS1
SCHEMBL7405065 0.88 TMEM97 (0.62) TMEM97SIGMAR1LTA4HHRH3MAOB
SCHEMBL6302956 0.87 TMEM97 (0.82) TMEM97SIGMAR1LTA4HHRH3MAOB
Bromide SCHEMBL8170644 0.86 SIGMAR1 (0.61) TMEM97SIGMAR1LTA4HHRH3PTGS1
Hydrochloric Acid SCHEMBL7405813 0.86 SIGMAR1 (0.64) TMEM97SIGMAR1LTA4HHRH3
Hydrochloric Acid SCHEMBL7406531 0.86 TMEM97 (0.61) TMEM97SIGMAR1LTA4HHRH3MAOB
Hydrochloric Acid SCHEMBL7406601 0.86 TMEM97 (0.61) TMEM97SIGMAR1LTA4HHRH3OPRM1
Bromide SCHEMBL7410089 0.86 TMEM97 (0.80) TMEM97SIGMAR1LTA4HHRH3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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