SCHEMBL7285501

SCHEMBL7285501

CCCN=C(C)N(CCC)c1cccc(=O)n1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7285845 0.71 MMP1 (0.35) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7293823 0.71 — —
Water SCHEMBL10565308 0.70 — —
SCHEMBL7286157 0.67 GRIN2D (0.32) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7293169 0.59 MMP1 (0.35) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21477663 0.57 CA12 (0.30) —
SCHEMBL16093372 0.56 CA12 (0.38) —
SCHEMBL11316991 0.55 — —
SCHEMBL23273584 0.55 IDH1 (0.40) ALDH1A1
SCHEMBL11992345 0.55 MAPT (0.40) 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 3 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
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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