SCHEMBL28042882

SCHEMBL28042882

N#Cc1cc(-c2ccc(OC(F)(F)F)cc2)nc(C2CNCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
TRPA1 O75762 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
NISCH Q9Y2I1 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
SCHEMBL28043072 0.84
SCHEMBL28185057 0.81 HTR1A (0.43) SCN5ANISCH
SCHEMBL16004999 0.80 SCN5A (0.49) KDM1AMAOBTRPA1SCN5ASCN9A
SCHEMBL28042881 0.73 ABL1 (0.49) SCN9A
SCHEMBL28043076 0.70 HTR1A (0.46)
SCHEMBL16014446 0.69 GALR2 (0.46) TRPA1SCN5ASCN9A
SCHEMBL2959126 0.68 PRKACA (0.44) PRKACAPRKACGPRKACB
SCHEMBL894210 0.67 SCN10A (0.46) KDM1AMAOBTRPA1SCN5ASCN9A
SCHEMBL30403295 0.66 HTR1A (0.65) PRKACAPRKACGPRKACB
SCHEMBL5547294 0.66 HTR1A (0.65) PRKACAPRKACGPRKACB

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
CN-105143188-A Novel sulfonamide trpa1 receptor antagonists PHARMESTE S R L IN LIQUIDATION 2015-12-09 CN disclosed