Sugi Predict

Sugi Predict / Compounds / SCHEMBL14918043

SCHEMBL14918043

SCHEMBL14918043

CS(=O)(=O)c1cc(F)c(O[C@@H]2CN(c3cnc(C(F)(F)F)o3)CCC2N2CCCC2=O)cc1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 5/20 0.34
▸ NR1H3 Q13133 4/20 0.34
▸ SCN9A Q15858 8/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ SCN2B O60939 6/20 0.33
▸ SCN1B Q07699 6/20 0.33
▸ SCN1A P35498 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ SCN5A Q14524 8/20 0.32

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
SCHEMBL2597298 0.83 NR1H2 (0.41) NR1H2NR1H3SCN9AGPR119KCNH2
SCHEMBL14918086 0.83 SCN5A (0.36) NR1H2NR1H3SCN9AGPR119SCN2B
SCHEMBL2597058 0.79 GPR119 (0.37) SCN9AGPR119SCN5A
SCHEMBL2597138 0.79 GPR119 (0.36) NR1H2NR1H3SCN9AGPR119SCN2B
SCHEMBL14918041 0.78 GPR119 (0.35) NR1H2NR1H3GPR119
SCHEMBL16011128 0.78 GPR119 (0.35) NR1H2NR1H3GPR119
SCHEMBL790469 0.72 SCN9A (0.34) SCN9ASCN2BSCN1BSCN1AKCNH2
SCHEMBL788886 0.72 SCN9A (0.34) SCN9ASCN2BSCN1BSCN1AKCNH2
SCHEMBL796665 0.65 GPR119 (0.36) NR1H3SCN9AGPR119SCN2BSCN1B
SCHEMBL806728 0.65 GPR119 (0.36) NR1H3SCN9AGPR119SCN2BSCN1B

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-2013066869-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2013-05-10 — — WO disclosed