SCHEMBL3944792

SCHEMBL3944792

COc1ccc(-c2ccccc2CN)cc1.Cc1cc(F)ccc1-c1ccccc1CN.Cc1ccc(-c2ccccc2CN)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.42
DPP4 P27487 1/20 0.40
HTR7 P34969 1/20 0.40
S1PR1 P21453 3/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
MC4R P32245 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
STAT3 P40763 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
F10 P00742 1/20 0.36
KIF11 P52732 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 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
SCHEMBL3750586 0.82 DPP4 (0.46) DPP4S1PR1NOS3NOS1NOS2
SCHEMBL3756401 0.79 DPP4 (0.62) SYKDPP4HTR7FFAR1FFAR4
Hydrochloric Acid SCHEMBL12490497 0.78 DPP4 (0.60) SYKDPP4HTR7FFAR1FFAR4
SCHEMBL11691477 0.76 SYK (0.48) SYKFFAR4ABL1ABCB1BCR
SCHEMBL1038044 0.75 DPP4 (0.69) SYKDPP4HTR7FFAR1FFAR4
SCHEMBL3944796 0.73 SYK (0.36) SYKS1PR1ABL1ABCB1BCR
SCHEMBL15832032 0.72 SYK (0.46) SYKABL1ABCB1BCRCD274
SCHEMBL3723618 0.72 DPP4 (0.69) DPP4HTR7FFAR1FFAR4ABL1
SCHEMBL27579640 0.71 MAOB (0.42) KIF11
SCHEMBL7956009 0.68 PTGDR2 (0.52) HTR7FFAR1FFAR4ABL1ABCB1

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-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed