SCHEMBL7408573

SCHEMBL7408573

Clc1ccc(CC2CCN(CCCOc3ccccc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.82
TMEM97 Q5BJF2 3/20 0.82
HRH3 Q9Y5N1 4/20 0.71
SLC6A2 P23975 2/20 0.65
SLC6A4 P31645 2/20 0.65
ALDH1A1 P00352 1/20 0.63
HTR1A P08908 1/20 0.61
DRD2 P14416 1/20 0.61
HTR2A P28223 1/20 0.61
DRD3 P35462 1/20 0.61
DRD4 P21917 2/20 0.58
CYP2D6 P10635 1/20 0.58
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 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
Bromide SCHEMBL8169444 0.99 SIGMAR1 (0.81) SIGMAR1TMEM97HRH3SLC6A2SLC6A4
SCHEMBL7406605 0.94 SIGMAR1 (0.82) SIGMAR1TMEM97HRH3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7409008 0.92 SIGMAR1 (0.80) SIGMAR1TMEM97HRH3SLC6A2SLC6A4
SCHEMBL5888823 0.91 SIGMAR1 (1.00) SIGMAR1TMEM97HRH3SLC6A2SLC6A4
SCHEMBL7409069 0.88 SIGMAR1 (0.82) SIGMAR1TMEM97HRH3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7404802 0.87 SIGMAR1 (0.80) SIGMAR1TMEM97HRH3SLC6A2SLC6A4
SCHEMBL8639262 0.86 SIGMAR1 (0.70) SIGMAR1TMEM97HRH3SLC6A2SLC6A4
SCHEMBL7410051 0.86 SIGMAR1 (0.61) SIGMAR1TMEM97HRH3SLC6A2SLC6A4
SCHEMBL7404109 0.85 SIGMAR1 (0.73) SIGMAR1TMEM97HRH3SLC6A2SLC6A4
Bromide SCHEMBL7505390 0.85 SIGMAR1 (0.60) SIGMAR1TMEM97HRH3SLC6A2SLC6A4

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