SCHEMBL9980442

SCHEMBL9980442

CCCC[C@@H]1CSc2cc(OCC)c(OCC)cc2[C@@H](c2ccccc2)N1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 6/20 0.35
LMNA P02545 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
SLC10A2 Q12908 5/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL17528481 0.80 DRD2 (0.36) SLC10A2MEN1KMT2A
SCHEMBL9961460 0.76 SLC10A2 (0.48) SLC10A2
SCHEMBL1387331 0.76 SLC10A2 (0.48) SLC10A2
SCHEMBL18748574 0.66 SLC10A2 (0.58) SLC10A2
SCHEMBL7477850 0.65 SLC10A2 (0.38) SLC10A2
SCHEMBL8689617 0.65 SLC10A2 (0.42) SLC10A2
SCHEMBL8797258 0.65 SLC10A2 (0.42) SLC10A2
SCHEMBL7477854 0.65 SLC10A2 (0.38) SLC10A2
SCHEMBL9284370 0.64 SLC10A2 (0.44) SLC10A2
SCHEMBL22544383 0.63 SLC10A2 (0.50) SLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968230-A2 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PRIMARY SCLEROSING CHOLANGITIS AND INFLAMMATORY BOWEL DISEASE Lumena Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
EP-2968262-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE Lumena Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2015065983-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF GASTROINTESTINAL INFECTIONS Lumena Pharmaceuticals, Inc. (US) 2015-05-07 WO disclosed
WO-2014144485-A9 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE Lumena Pharmaceuticals, Inc. (US) 2015-01-15 WO disclosed
WO-2014144650-A2 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PRIMARY SCLEROSING CHOLANGITIS AND INFLAMMATORY BOWEL DISEASE Lumena Pharmaceuticals, Inc. (US) 2014-09-18 WO disclosed
WO-2014144485-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE Lumena Pharmaceuticals, Inc. (US) 2014-09-18 WO disclosed
EP-2770990-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE Lumena Pharmaceuticals, Inc. (US) 2014-09-03 EP disclosed
EP-2771003-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES Lumena Pharmaceuticals, Inc. (US) 2014-09-03 EP disclosed
EP-2739286-A2 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PANCREATITIS Lumena Pharmaceuticals, Inc. (US) 2014-06-11 EP disclosed
WO-2013063512-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS, INC (US) 2013-05-02 WO disclosed
WO-2013063526-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE Lumena Pharmaceuticals, Inc. (US) 2013-05-02 WO disclosed
EP-2575821-A2 BILE ACID RECYCLING INHIBITORS AND SATIOGENS FOR TREATMENT OF DIABETES, OBESITY, AND INFLAMMATORY GASTROINTESTINAL CONDITIONS Satiogen Pharmaceuticals, Inc. (US) 2013-04-10 EP disclosed
WO-2013020108-A2 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PANCREATITIS Lumena Pharmaceuticals, Inc. (US) 2013-02-07 WO disclosed
WO-2011150286-A2 BILE ACID RECYCLING INHIBITORS AND SATIOGENS FOR TREATMENT OF DIABETES, OBESITY, AND INFLAMMATORY GASTROINTESTINAL CONDITIONS SATIOGEN PHARMACEUTICALS,INC. (US) 2011-12-01 WO disclosed