SCHEMBL7404109

SCHEMBL7404109

Clc1ccc(CC2CCN(CCOc3ccc(OCc4ccccc4)cc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.73
TMEM97 Q5BJF2 2/20 0.73
HRH3 Q9Y5N1 1/20 0.62
LTA4H P09960 3/20 0.61
ALDH1A1 P00352 2/20 0.61
DRD4 P21917 1/20 0.59
KDM4E B2RXH2 2/20 0.58
MAOB P27338 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL7409069 0.94 SIGMAR1 (0.82) SIGMAR1TMEM97HRH3LTA4HALDH1A1
Hydrochloric Acid SCHEMBL7404802 0.93 SIGMAR1 (0.80) SIGMAR1TMEM97HRH3LTA4HALDH1A1
Hydrochloric Acid SCHEMBL7408213 0.92 TMEM97 (0.82) SIGMAR1TMEM97HRH3LTA4HKDM4E
SCHEMBL7406605 0.92 SIGMAR1 (0.82) SIGMAR1TMEM97HRH3LTA4HALDH1A1
Hydrochloric Acid SCHEMBL7409008 0.90 SIGMAR1 (0.80) SIGMAR1TMEM97HRH3LTA4HALDH1A1
SCHEMBL7406987 0.89 SIGMAR1 (0.62) SIGMAR1TMEM97HRH3LTA4HALDH1A1
SCHEMBL7404801 0.88 TMEM97 (0.73) SIGMAR1TMEM97HRH3LTA4HALDH1A1
SCHEMBL7405268 0.88 TMEM97 (0.73) SIGMAR1TMEM97HRH3LTA4HKDM4E
Hydrochloric Acid SCHEMBL7397629 0.88 SIGMAR1 (0.60) SIGMAR1TMEM97HRH3LTA4HALDH1A1
Hydrochloric Acid SCHEMBL7408123 0.87 TMEM97 (0.71) SIGMAR1TMEM97HRH3LTA4HALDH1A1

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