SCHEMBL1998342

SCHEMBL1998342

C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(Cc4ccc(F)cc4)nc3)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLNR O43193 4/20 0.49
GPR119 Q8TDV5 4/20 0.45
CCR1 P32246 9/20 0.43
KCNH2 Q12809 2/20 0.42
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
FPR3 P25089 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL13085684 0.91 MLNR (0.52) MLNRGPR119CCR1KCNH2
SCHEMBL2003276 0.89 MLNR (0.49) MLNRGPR119CCR1KCNH2MEN1
SCHEMBL1995197 0.89 MLNR (0.63) MLNRGPR119CCR1KCNH2MEN1
SCHEMBL2856258 0.89 MLNR (0.53) MLNRCCR1KCNH2MEN1NPC1
SCHEMBL2002043 0.88 MLNR (0.46) MLNRGPR119CCR1KCNH2MEN1
SCHEMBL1997045 0.87 MLNR (0.48) MLNRGPR119CCR1KCNH2MEN1
SCHEMBL1996928 0.86 GPR119 (0.49) MLNRGPR119CCR1
SCHEMBL1999297 0.83 MLNR (0.42) MLNRGPR119CCR1KCNH2
SCHEMBL1995580 0.83 MLNR (0.64) MLNRGPR119
SCHEMBL1999376 0.82 MLNR (0.54) MLNRGPR119MEN1NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
WO-2009068552-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2009-06-04 WO disclosed