SCHEMBL22685207

SCHEMBL22685207

CCc1ccc(C(=O)NC2(c3ccc(-c4ncc(C(F)(F)F)cc4N)cc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.43
PTGER4 P35408 12/20 0.43
PTGER2 P43116 2/20 0.43
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTGDR Q13258 2/20 0.40
TBXA2R P21731 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39

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
SCHEMBL22685206 0.90 PDE2A (0.48) PDE2APTGER4PTGER2HDAC3HDAC1
SCHEMBL22657408 0.88 MALT1 (0.45) PDE2APTGER4HDAC3HDAC1HDAC2
SCHEMBL22685182 0.85 PDE2A (0.41) PDE2APTGER4PTGER2HDAC3HDAC1
SCHEMBL22686817 0.84 PDE2A (0.46) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22684763 0.80 PDE2A (0.44) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22684760 0.80 WDR91 (0.53) PDE2A
SCHEMBL22686802 0.79 AKT1 (0.41) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL22686821 0.78 MALT1 (0.45) PDE2APTGER4HDAC3HDAC1HDAC2
SCHEMBL22684761 0.77 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC6
SCHEMBL22684764 0.77 HDAC1 (0.42) PDE2AHDAC3HDAC1HDAC2HDAC6

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-2020228823-A1 NOVEL AMIDE COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2020-11-19 WO disclosed