SCHEMBL16366297

SCHEMBL16366297

CCC(N)Cc1cn(C)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.59
▸ HTR2A P28223 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.50
▸ CA2 P00918 1/20 0.49
▸ AKT1 P31749 2/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL1661389 0.86 GPR84 (0.57) GPR84HTR2AKDM4ECA2AKT1
SCHEMBL1661391 0.86 GPR84 (0.57) GPR84HTR2AKDM4ECA2AKT1
SCHEMBL4601998 0.86 GPR84 (0.57) GPR84HTR2AKDM4ECA2AKT1
SCHEMBL8416936 0.83 GPR84 (0.62) GPR84HTR2AKDM4ECA2IDO1
SCHEMBL12113330 0.83 GPR84 (0.62) GPR84HTR2AKDM4ECA2IDO1
SCHEMBL24247571 0.81 GPR84 (0.59) GPR84HTR2AKDM4ECA2IDO1
Hydrochloric Acid SCHEMBL6591093 0.80 KDM4E (0.54) GPR84HTR2AKDM4ECA2LMNA
Hydrochloric Acid SCHEMBL27373422 0.80 KDM4E (0.54) GPR84HTR2AKDM4ECA2LMNA
Hydrochloric Acid SCHEMBL27373423 0.80 KDM4E (0.54) GPR84HTR2AKDM4ECA2LMNA
SCHEMBL5018864 0.80 GPR84 (0.67) GPR84HTR2AKDM4ECA2IDO1

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
WO-2014204856-A1 FATTY ACID ANTICANCER DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-12-24 — — WO disclosed
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