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SCHEMBL5746701

SCHEMBL5746701

COc1ccc(NC2=C(c3ccccc3)C(=O)N(Cc3ccc(N)nc3)C2=O)cc1.Nc1ccc(CN2C(=O)C(Nc3ccc(OC(F)F)cc3)=C(c3ccccc3)C2=O)cn1.O=C1C(Nc2ccc(OC(F)(F)F)cc2)=C(c2ccccc2)C(=O)N1CC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 8/20 0.53
▸ NR1H3 Q13133 8/20 0.53
▸ CHRM5 P08912 6/20 0.40
▸ CPB1 P15086 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CHRNA7 P36544 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
SCHEMBL5745684 0.95 NR1H2 (0.58) NR1H2NR1H3CHRM5CPB1ABL1
SCHEMBL4684834 0.87 NR1H2 (0.55) NR1H2NR1H3CHRM5MAPT
SCHEMBL4690915 0.84 NR1H2 (0.73) NR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL5000235 0.80 NR1H2 (0.46) NR1H2NR1H3CHRM5MAPT
SCHEMBL4685658 0.80 NR1H2 (0.46) NR1H2NR1H3CHRM5MAPT
SCHEMBL4689739 0.78 NR1H2 (0.57) NR1H2NR1H3CHRM5MAPTSMN1; SMN2
SCHEMBL4688172 0.78 NR1H2 (0.74) NR1H2NR1H3TP53MAPTSMN1; SMN2
SCHEMBL4684739 0.75 NR1H2 (0.38) NR1H2NR1H3CHRM5MAPT
SCHEMBL4689233 0.74 NR1H2 (0.60) NR1H2NR1H3SMN1; SMN2
SCHEMBL4692995 0.74 NR1H2 (0.60) NR1H2NR1H3CHRM5ABL1BCR

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 disclosed
WO-2005005417-A1 PYRROLE-2, 5-DIONE DERIVATIVES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-01-20 — — WO disclosed