SCHEMBL7286157

SCHEMBL7286157

CCCN=C(C)N(CCC)c1cccc(O)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7286224 0.84 — —
SCHEMBL7287110 0.71 ALDH1A1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7286062 0.70 MAPK14 (0.30) —
SCHEMBL7285845 0.68 MMP1 (0.35) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7285501 0.67 NPC1 (0.33) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7286003 0.67 PKM (0.40) GRIN1GRIN2BALDH1A1SMN1; SMN2
SCHEMBL10463822 0.67 ELANE (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7295298 0.66 PKM (0.39) GRIN1GRIN2BALDH1A1SMN1; SMN2
SCHEMBL7295809 0.66 MAPK8 (0.37) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10567467 0.66 MAPK8 (0.37) NPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0239533-B1 PYRIDINE DERIVATIVES CIBA-GEIGY AG (CH) 1992-09-16 — — EP claimed
US-4863938-A Pyridine derivatives and their use as nootropic agents CIBA-GEIGY CORPORATION (US) 1989-09-05 — — US claimed
EP-0239533-B1 PYRIDINE DERIVATIVES CIBA-GEIGY AG (CH) 1992-09-16 — — EP disclosed
US-4863938-A Pyridine derivatives and their use as nootropic agents CIBA-GEIGY CORPORATION (US) 1989-09-05 — — US disclosed
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