SCHEMBL14969474

SCHEMBL14969474

CS(=O)(=O)c1cc(F)c(CCC2CNC(=O)N2C2CCN(c3ncc(C(F)(F)F)cc3F)CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.40
SLC6A9 P48067 4/20 0.38
KCNH2 Q12809 3/20 0.38
NR1H2 P55055 4/20 0.36
NR1H3 Q13133 4/20 0.36
LCAT P04180 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
SCN10A Q9Y5Y9 4/20 0.35
CHRM4 P08173 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14966287 0.92 CXCR3 (0.41) CXCR3SLC6A9KCNH2NR1H2NR1H3
SCHEMBL14966419 0.82 KCNH2 (0.43) CXCR3SLC6A9KCNH2NR1H2NR1H3
SCHEMBL14969498 0.80 SLC6A9 (0.42) CXCR3SLC6A9KCNH2LCATGPR119
SCHEMBL14969475 0.80 CXCR3 (0.41) CXCR3SLC6A9KCNH2NR1H2NR1H3
SCHEMBL14966286 0.78 CXCR3 (0.42) CXCR3SLC6A9KCNH2NR1H2NR1H3
SCHEMBL14970181 0.76 CXCR3 (0.41) CXCR3SLC6A9KCNH2NR1H2NR1H3
SCHEMBL2597297 0.70 SLC6A9 (0.43) CXCR3SLC6A9KCNH2NR1H2NR1H3
SCHEMBL14969473 0.70 NR1H2 (0.43) CXCR3SLC6A9KCNH2NR1H2NR1H3
SCHEMBL15023775 0.70 SLC6A9 (0.43) CXCR3SLC6A9KCNH2NR1H2NR1H3
SCHEMBL12185897 0.69 GPR119 (0.41) CXCR3SLC6A9KCNH2NR1H2NR1H3

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-2013074641-A1 PIPERIDINYL- SUBSTITUTED CYCLIC UREAS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2013-05-23 WO disclosed