SCHEMBL6813244

SCHEMBL6813244

O=C(O)C1CCCN1C(=O)/C=C/c1cc[c]c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2C19 P33261 1/20 0.38
ENPP2 Q13822 6/20 0.38
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
ALOX12 P18054 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ITGB2 P05107 3/20 0.35
ICAM1 P05362 3/20 0.35
ITGAL P20701 3/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 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
SCHEMBL7063009 0.78 ITGB2 (0.41) SMN1; SMN2ITGB2ICAM1ITGAL
SCHEMBL6813240 0.75 KMT2A (0.37) KMT2ATHRBALOX12ALDH1A1SMN1; SMN2
SCHEMBL6217553 0.74 ENPP2 (0.34) ENPP2KMT2AITGB2ICAM1ITGAL
SCHEMBL7064160 0.71 F2R (0.38) ENPP2KMT2AITGB2ICAM1ITGAL
SCHEMBL6310951 0.71 ITGAL (0.73) ITGB2ICAM1ITGAL
SCHEMBL6412358 0.70 CYP2C19 (0.66) HRH3CYP2C19KMT2AALDH1A1SMN1; SMN2
SCHEMBL6412360 0.70 CYP2C19 (0.66) HRH3CYP2C19KMT2AALDH1A1SMN1; SMN2
SCHEMBL5740710 0.70 CYP2C19 (0.66) HRH3CYP2C19KMT2AALDH1A1SMN1; SMN2
SCHEMBL9408172 0.70 CYP2C19 (0.66) HRH3CYP2C19KMT2AALDH1A1SMN1; SMN2
SCHEMBL27551808 0.68 CYP2C19 (0.42) HRH3KCNH2CYP2C19ENPP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed