SCHEMBL13680927

SCHEMBL13680927

O=CCCc1coc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PDE4B Q07343 2/20 0.41
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL13680921 0.84 DRD2 (0.48) LMNAHDAC1HDAC8HDAC6PDE4B
SCHEMBL5544111 0.80 NPC1 (0.48) LMNANPC1MAPTMAPK1RAB9A
SCHEMBL2225521 0.80 NPC1 (0.51) LMNANPC1MAPTMAPK1RAB9A
SCHEMBL13680924 0.78 SCN10A (0.44) LMNANPSR1HDAC1HDAC8HDAC6
SCHEMBL202513 0.77 NPC1 (0.51) LMNANPC1MAPTMAPK1RAB9A
SCHEMBL5537952 0.76 NPC1 (0.45) LMNANPC1MAPTMAPK1RAB9A
SCHEMBL27610597 0.76 NPC1 (0.45) LMNANPC1MAPTMAPK1RAB9A
SCHEMBL6426163 0.76 NPC1 (0.50) LMNANPC1MAPTMAPK1RAB9A
SCHEMBL12996293 0.76 NPC1 (0.50) LMNANPC1MAPTMAPK1RAB9A
SCHEMBL381503 0.76 NOTUM (0.51) LMNANPC1MAPTMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed