SCHEMBL7405461

SCHEMBL7405461

CCc1ccc(CC2CCN(CCOc3ccc(N)cc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.62
SIGMAR1 Q99720 2/20 0.62
LTA4H P09960 3/20 0.61
HRH3 Q9Y5N1 5/20 0.55
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
MAOB P27338 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48

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
SCHEMBL7401100 0.90 TMEM97 (0.62) TMEM97SIGMAR1LTA4HHRH3PTGS1
SCHEMBL7404898 0.88 SIGMAR1 (0.62) TMEM97SIGMAR1LTA4HHRH3PTGS1
SCHEMBL7405581 0.88 TMEM97 (0.62) TMEM97SIGMAR1LTA4HHRH3MAOB
SCHEMBL6302956 0.87 TMEM97 (0.82) TMEM97SIGMAR1LTA4HHRH3MAOB
Bromide SCHEMBL8170644 0.86 SIGMAR1 (0.61) TMEM97SIGMAR1LTA4HHRH3PTGS1
Bromide SCHEMBL7410089 0.86 TMEM97 (0.80) TMEM97SIGMAR1LTA4HHRH3MAOB
Hydrochloric Acid SCHEMBL7408123 0.83 TMEM97 (0.71) TMEM97SIGMAR1LTA4HHRH3MAOB
SCHEMBL7505451 0.83 TMEM97 (0.70) TMEM97SIGMAR1LTA4HHRH3MAOB
SCHEMBL7400101 0.80 TMEM97 (0.70) TMEM97SIGMAR1LTA4HHRH3SLC6A2
Hydrochloric Acid SCHEMBL7406556 0.79 TMEM97 (0.68) TMEM97SIGMAR1LTA4HHRH3SLC6A2

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