SCHEMBL4765437

SCHEMBL4765437

CC(C)CC(NC(=O)c1cc2ccccc2s1)C(=O)N([C@H]1CCCNCC1=O)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.46
CTSK P43235 6/20 0.46
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
UTS2R Q9UKP6 4/20 0.43
CCR1 P32246 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
NPY5R Q15761 1/20 0.40
OPRM1 P35372 1/20 0.38
PIN1 Q13526 1/20 0.38

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
SCHEMBL4765434 1.00 TRPV4 (0.46) TRPV4CTSKTAS1R3TAS1R1UTS2R
SCHEMBL6592504 0.93 TRPV4 (0.45) TRPV4CTSKTAS1R3TAS1R1UTS2R
SCHEMBL6592507 0.93 TRPV4 (0.45) TRPV4CTSKTAS1R3TAS1R1UTS2R
SCHEMBL6765735 0.93 CTSK (0.46) TRPV4CTSKTAS1R3TAS1R1UTS2R
SCHEMBL4838791 0.93 CTSK (0.46) TRPV4CTSKTAS1R3TAS1R1UTS2R
SCHEMBL6771256 0.89 CTSK (0.50) TRPV4CTSKTAS1R3TAS1R1UTS2R
SCHEMBL4762325 0.88 CTSK (0.47) TRPV4CTSKTAS1R3TAS1R1UTS2R
SCHEMBL4768869 0.88 TAS1R3 (0.47) TRPV4CTSKTAS1R3TAS1R1UTS2R
SCHEMBL4768865 0.88 TAS1R3 (0.47) TRPV4CTSKTAS1R3TAS1R1UTS2R
SCHEMBL4765349 0.87 CTSK (0.46) TRPV4CTSKTAS1R3TAS1R1UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed