SCHEMBL5745684

SCHEMBL5745684

COc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccc(N)nc3)C2=O)cc1.O=C1C(Nc2ccc(OC(F)(F)F)cc2)=C(c2ccccc2)C(=O)N1CC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.58
NR1H3 Q13133 8/20 0.58
CHRM5 P08912 6/20 0.41
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
CPB1 P15086 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNA7 P36544 1/20 0.37
NAMPT P43490 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
SCHEMBL5746701 0.95 NR1H2 (0.53) NR1H2NR1H3CHRM5ABL1BCR
SCHEMBL4690915 0.89 NR1H2 (0.73) NR1H2NR1H3MAPTSMN1; SMN2NAMPT
SCHEMBL4688172 0.82 NR1H2 (0.74) NR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL4689739 0.82 NR1H2 (0.57) NR1H2NR1H3CHRM5MAPTSMN1; SMN2
SCHEMBL4684834 0.80 NR1H2 (0.55) NR1H2NR1H3CHRM5MAPTNAMPT
SCHEMBL4692995 0.78 NR1H2 (0.60) NR1H2NR1H3CHRM5ABL1BCR
SCHEMBL4450601 0.76 NR1H2 (1.00) NR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL4688066 0.75 NR1H2 (0.80) NR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL5745530 0.74 NR1H2 (0.78) NR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL4685235 0.73 NR1H2 (0.63) NR1H2NR1H3MAPTSMN1; 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-1646626-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-04-19 EP claimed
WO-2005005417-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 WO claimed