SCHEMBL29665802

SCHEMBL29665802

N#Cc1ccc(NC2CCC(NC(=O)c3cccc4[nH]ncc34)CC2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.42
▸ PTGES O14684 1/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GRK2 P25098 1/20 0.41
▸ CDK3 Q00526 1/20 0.41
▸ TRPV1 Q8NER1 8/20 0.41
▸ BRD4 O60885 1/20 0.39
▸ PAK1 Q13153 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ AR P10275 2/20 0.37
▸ PRMT5 O14744 1/20 0.37

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
SCHEMBL24512937 0.87 TRPA1 (0.42) TAS2R14PTGESTRPA1AURKACDK1
SCHEMBL29665833 0.87 TRPA1 (0.42) TAS2R14PTGESTRPA1AURKACDK1
SCHEMBL29665983 0.86 PTGES (0.51) TAS2R14PTGESTRPA1AURKACDK1
SCHEMBL29665884 0.86 TAS2R14 (0.43) TAS2R14PTGESTRPA1TRPV1BRD4
SCHEMBL24513509 0.86 TAS2R14 (0.43) TAS2R14PTGESTRPA1TRPV1BRD4
SCHEMBL24512986 0.85 TRPA1 (0.45) TAS2R14PTGESTRPA1AURKACDK1
SCHEMBL24512927 0.85 TRPA1 (0.45) TAS2R14PTGESTRPA1AR
SCHEMBL29665834 0.85 TRPA1 (0.45) TAS2R14PTGESTRPA1AR
SCHEMBL29665808 0.85 TRPA1 (0.45) TAS2R14PTGESTRPA1AURKACDK1
SCHEMBL24512991 0.84 TRPA1 (0.44) TAS2R14PTGESTRPA1AURKACDK1

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-4259604-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-18 — — EP disclosed
WO-2022125636-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-06-16 — — WO disclosed
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