SCHEMBL14969475

SCHEMBL14969475

CS(=O)(=O)c1cc(F)c(CCN2CCN(C3CCN(c4ncc(C(F)(F)F)cc4F)CC3)C2=O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 6/20 0.41
NR1H2 P55055 5/20 0.39
NR1H3 Q13133 5/20 0.39
SLC6A9 P48067 4/20 0.39
KCNH2 Q12809 3/20 0.39
GPR119 Q8TDV5 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CYP3A4 P08684 2/20 0.36
CHRM4 P08173 1/20 0.36
LCAT P04180 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL14966286 0.92 CXCR3 (0.42) CXCR3NR1H2NR1H3SLC6A9KCNH2
SCHEMBL14970181 0.88 CXCR3 (0.41) CXCR3NR1H2NR1H3SLC6A9KCNH2
SCHEMBL14966416 0.81 KCNH2 (0.45) CXCR3NR1H2NR1H3SLC6A9KCNH2
SCHEMBL14969474 0.80 CXCR3 (0.40) CXCR3NR1H2NR1H3SLC6A9KCNH2
SCHEMBL14966354 0.80 CXCR3 (0.42) CXCR3NR1H2NR1H3SLC6A9KCNH2
SCHEMBL14969497 0.79 SLC6A9 (0.43) CXCR3NR1H2NR1H3SLC6A9KCNH2
SCHEMBL14969473 0.79 NR1H2 (0.43) CXCR3NR1H2NR1H3SLC6A9KCNH2
SCHEMBL14969317 0.79 KCNH2 (0.43) CXCR3NR1H2NR1H3SLC6A9KCNH2
SCHEMBL14966702 0.78 SLC6A9 (0.44) CXCR3NR1H2NR1H3SLC6A9KCNH2
SCHEMBL14966287 0.78 CXCR3 (0.41) CXCR3NR1H2NR1H3SLC6A9KCNH2

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