SCHEMBL7401033

SCHEMBL7401033

O=C1N=c2ccc(OCCN3CCC(Cc4ccc(Cl)cc4)CC3)cc2=N1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
TMEM97 Q5BJF2 1/20 0.51
MAOB P27338 5/20 0.51
LTA4H P09960 2/20 0.50
ACHE P22303 2/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HRH3 Q9Y5N1 2/20 0.46
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7405780 0.89 SIGMAR1 (0.51) SIGMAR1TMEM97MAOBLTA4HACHE
SCHEMBL7404776 0.89 TMEM97 (0.51) SIGMAR1TMEM97MAOBLTA4HACHE
SCHEMBL7401858 0.89 TMEM97 (0.66) SIGMAR1TMEM97MAOBACHESLC6A2
SCHEMBL7405349 0.84 SLC6A2 (0.69) SIGMAR1TMEM97MAOBACHESLC6A2
SCHEMBL7405343 0.83 TMEM97 (0.66) SIGMAR1TMEM97MAOBACHESLC6A2
SCHEMBL7403267 0.81 MEN1 (0.53) SIGMAR1TMEM97SLC6A2SLC6A4MEN1
SCHEMBL7403112 0.80 SIGMAR1 (0.55) SIGMAR1TMEM97MAOBLTA4HACHE
SCHEMBL7401035 0.80 GRIN1 (0.60) SIGMAR1TMEM97MAOBLTA4HACHE
SCHEMBL7402464 0.79 TMEM97 (0.51) SIGMAR1TMEM97MAOBLTA4HACHE
SCHEMBL7403096 0.79 TMEM97 (0.51) SIGMAR1TMEM97MAOBLTA4HACHE

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