SCHEMBL14934616

SCHEMBL14934616

Cc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.52
PDE4B Q07343 3/20 0.52
KMT2A Q03164 1/20 0.48
TP53 P04637 2/20 0.46
TACR1 P25103 1/20 0.44
RORC P51449 1/20 0.42
SCN9A Q15858 1/20 0.42
MMP13 P45452 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL14921685 1.00 GPR119 (0.52) GPR119PDE4BKMT2ATP53TACR1
SCHEMBL14921684 1.00 GPR119 (0.52) GPR119PDE4BKMT2ATP53TACR1
SCHEMBL951033 0.89 PDE4B (0.51) GPR119PDE4BKMT2ATACR1RORC
SCHEMBL14921544 0.89 PDE4B (0.51) PDE4BKMT2ASCN9A
SCHEMBL14921543 0.89 PDE4B (0.51) PDE4BKMT2ASCN9A
SCHEMBL16141288 0.89 PDE4B (0.51) PDE4BKMT2ASCN9A
SCHEMBL16141287 0.89 PDE4B (0.51) PDE4BKMT2ASCN9A
SCHEMBL12602246 0.89 PDE4B (0.51) GPR119PDE4BKMT2ATACR1RORC
SCHEMBL6694614 0.89 PDE4B (0.51) GPR119PDE4BKMT2ATACR1RORC
SCHEMBL3065548 0.89 PDE4B (0.51) GPR119PDE4BKMT2ATACR1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773637-B1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2016-06-08 EP disclosed
WO-2013064983-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2013-05-10 WO disclosed