SCHEMBL1721676

SCHEMBL1721676

Cc1c(Br)cnc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)c1C

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CFTR P13569 19/20 0.55
HDAC1 Q13547 1/20 0.49

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
SCHEMBL1723478 0.85 CFTR (0.57) CFTRHDAC1
SCHEMBL1721485 0.85 CFTR (0.55) CFTRHDAC1
SCHEMBL12189210 0.83 CFTR (0.58) CFTR
SCHEMBL12189274 0.83 CFTR (0.60) CFTR
SCHEMBL12188885 0.83 CFTR (0.53) CFTR
SCHEMBL12189052 0.82 CFTR (0.61) CFTR
SCHEMBL15259426 0.82 CFTR (0.51) CFTR
SCHEMBL12189001 0.82 CFTR (0.51) CFTR
SCHEMBL1014493 0.82 CFTR (0.56) CFTRHDAC1
SCHEMBL12188933 0.81 CFTR (0.52) CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3696174-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-08-19 EP disclosed
EP-3208272-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-08-23 EP disclosed
EP-2774925-B1 Heterocyclic modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2016-12-28 EP disclosed
EP-2774925-A1 Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2014-09-10 EP disclosed
EP-2395002-B1 PHARMACEUTICAL COMPOSITION CONTAINING A HETEROCYCLIC MODULATOR OF ATP-BINDING CASSETTE TRANSPORTERS. VERTEX PHARMA (US) 2014-06-18 EP disclosed
EP-1945632-B1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2013-09-18 EP disclosed
EP-2404919-B1 Heterocyclic compound useful as a modulator of ATP-binding cassette transporters. VERTEX PHARMA (US) 2013-08-21 EP disclosed
EP-2404919-A1 Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. Vertex Pharmaceuticals Incorporated (US) 2012-01-11 EP disclosed
EP-2395002-A1 Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. Vertex Pharmaceuticals Incorporated (US) 2011-12-14 EP disclosed
CN-101356170-A Heterocyclic modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2009-01-28 CN disclosed