SCHEMBL7249762

SCHEMBL7249762

Nc1cccc(OCCCCN2CCCCC2Cc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAOB P27338 1/20 0.44
LTA4H P09960 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TSHR P16473 1/20 0.42
ADRA1D P25100 3/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1B P35368 3/20 0.42
SPHK1 Q9NYA1 3/20 0.42
SPHK2 Q9NRA0 2/20 0.42
MET P08581 1/20 0.42

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
SCHEMBL7247863 0.93 LTA4H (0.48) KDM4EMAOBLTA4HTMEM97SIGMAR1
SCHEMBL7243458 0.89 TMEM97 (0.53) KDM4EHRH3TMEM97SIGMAR1ADRA1D
SCHEMBL7245268 0.87 TMEM97 (0.52) HRH3TMEM97SIGMAR1ADRA1DADRA1A
Bromide SCHEMBL5888803 0.87 TMEM97 (0.52) KDM4EHRH3TMEM97SIGMAR1ADRA1D
SCHEMBL7247786 0.87 SPHK2 (0.47) LTA4HHRH3ADRA1DADRA1AADRA1B
SCHEMBL7250692 0.87 KDM4E (0.46) KDM4EHRH3TMEM97SIGMAR1ADRA1D
Bromide SCHEMBL7251227 0.86 TMEM97 (0.51) HRH3TMEM97SIGMAR1ADRA1DADRA1A
SCHEMBL7250983 0.85 TMEM97 (0.58) KDM4EHRH3TMEM97SIGMAR1
SCHEMBL7249864 0.84 HRH3 (0.51) KDM4ELTA4HHRH3
SCHEMBL7242520 0.84 SPHK2 (0.47) LTA4HHRH3SPHK1SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534525-B1 Method of using 2- substituted piperidine analogs as selectively active antagonist of N-methyl-D-aspartate (NMDA) receptor subtypes for treating conditions such as stroke, cerebral ischemia, central nervous system trauma, WARNER-LAMBERT & COMPANY 2003-03-18 US disclosed
US-6124317-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
WO-1997023215-A1 2-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE-SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed