SCHEMBL5507750

SCHEMBL5507750

CON=C1COCCN1c1ccc(NC(=O)C2(N)CCC2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.43
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ROCK2 O75116 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
ITGA4 P13612 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5522177 0.98 F10 (0.43) F10CNR1CNR2ROCK2PRKACA
SCHEMBL5501240 0.93 F10 (0.44) F10ITGA4NPC1MAPTNFKB1
SCHEMBL5518249 0.92 F10 (0.42) F10CNR1CNR2
SCHEMBL5509431 0.90 F10 (0.42) F10CNR1CNR2
SCHEMBL5518282 0.88 F10 (0.42) F10CNR1CNR2
SCHEMBL5507739 0.87 F10 (0.42) F10CNR1CNR2NPC1MAPT
SCHEMBL5522170 0.85 F10 (0.42) F10CNR1CNR2NPC1MAPT
SCHEMBL5513705 0.84 F10 (0.54) F10CNR1CNR2
SCHEMBL5509405 0.84 F10 (0.39) F10CNR1CNR2MAPTRAB9A
SCHEMBL5509349 0.84 F10 (0.43) F10CNR1CNR2MAPTSMN1; 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 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