SCHEMBL18900835

SCHEMBL18900835

CCCC(C)n1nc(Cc2cn(C)c3ccccc23)c2ccccc2c1=O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 9/20 0.74
▸ GPR84 Q9NQS5 1/20 0.48
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HTR2A P28223 1/20 0.39
▸ AHR P35869 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL18900837 0.88 CMA1 (0.77) CMA1POLB
SCHEMBL7960524 0.85 CMA1 (1.00) CMA1GPR84POLBKDM4E
SCHEMBL7961041 0.83 CMA1 (0.80) CMA1GPR84KDM4EHSD17B10
SCHEMBL3418056 0.79 CMA1 (1.00) CMA1GPR84POLBKDM4E
SCHEMBL18900854 0.79 CMA1 (0.76) CMA1GPR84HTR2A
SCHEMBL7966175 0.76 CMA1 (0.81) CMA1GPR84POLBKDM4EHPGD
SCHEMBL7951279 0.74 CMA1 (1.00) CMA1
SCHEMBL7951727 0.74 CMA1 (1.00) CMA1GPR84
SCHEMBL7960485 0.73 CMA1 (0.84) CMA1
SCHEMBL7959067 0.73 CMA1 (0.85) CMA1GPR84

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-2323991-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 — — EP disclosed
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