SCHEMBL5501240

SCHEMBL5501240

CON=C1COCCN1c1ccc(NC(=O)C2(N)COC2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.44
ITGA4 P13612 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL5518249 0.94 F10 (0.42) F10
SCHEMBL5522177 0.93 F10 (0.43) F10ITGA4NPC1MAPTNFKB1
SCHEMBL5507750 0.93 F10 (0.43) F10ITGA4NPC1MAPTNFKB1
SCHEMBL5206095 0.85 F10 (0.54) F10
SCHEMBL5506356 0.84 F10 (0.41) F10DGAT1
SCHEMBL5507739 0.83 F10 (0.42) F10NPC1MAPTNFKB1RAB9A
SCHEMBL5522170 0.83 F10 (0.42) F10NPC1MAPTNFKB1RAB9A
SCHEMBL5518282 0.82 F10 (0.42) F10
SCHEMBL5509431 0.82 F10 (0.42) F10
SCHEMBL4466966 0.81 F10 (0.46) F10NPC1NFKB1RAB9ANFKB2

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
EP-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP disclosed
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed