SCHEMBL7400679

SCHEMBL7400679

S=C1N=c2ccc(OCCN3CCCCC3Cc3ccc(Cl)cc3)cc2=N1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
MCHR1 Q99705 1/20 0.41
HRH3 Q9Y5N1 7/20 0.39
ADRA1A P35348 6/20 0.39
HRH1 P35367 6/20 0.39
ADRA1B P35368 6/20 0.39
KCNH2 Q12809 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH2 P25021 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
TRPV6 Q9H1D0 1/20 0.38
PTGS2 P35354 1/20 0.38

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 0.81 SIGMAR1 (0.51) LTA4HHRH3
SCHEMBL7244055 0.80 LTA4H (0.50) LTA4HCHRM1HTR2AMCHR1HRH3
SCHEMBL7251610 0.80 LTA4H (0.50) LTA4HCHRM1HTR2AMCHR1HRH3
SCHEMBL7246877 0.80 KCNH2 (0.41) LTA4HMCHR1HRH3KCNH2
Hydrochloric Acid SCHEMBL7243161 0.79 LTA4H (0.49) LTA4HCHRM1HTR2AMCHR1HRH3
Hydrochloric Acid SCHEMBL7508739 0.79 LTA4H (0.49) LTA4HCHRM1HTR2AMCHR1HRH3
Hydrochloric Acid SCHEMBL7246199 0.79 LTA4H (0.49) LTA4HCHRM1HTR2AMCHR1HRH3
SCHEMBL7242520 0.78 SPHK2 (0.47) LTA4HHRH3SPHK2SPHK1
Hydrochloric Acid SCHEMBL7405951 0.75 LTA4H (0.45) LTA4HCHRM1HTR2AMCHR1HRH3
SCHEMBL7247786 0.73 SPHK2 (0.47) LTA4HHRH3ADRA1AADRA1BSPHK2

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
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