SCHEMBL4058747

SCHEMBL4058747

CC(C)(C)C(NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
STAT6 P42226 6/20 0.39
STAT5A P42229 3/20 0.39
STAT5B P51692 2/20 0.39
NPY5R Q15761 6/20 0.38
CCR8 P51685 1/20 0.38
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
HTR2A P28223 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL4050524 0.93 TRPV4 (0.42) CCR1TRPV4STAT6STAT5ASTAT5B
SCHEMBL4056095 0.90 TRPV4 (0.44) CCR1TRPV4STAT6STAT5ASTAT5B
SCHEMBL4055537 0.90 TRPV4 (0.41) CCR1TRPV4STAT6STAT5ASTAT5B
SCHEMBL4051597 0.90 TRPV4 (0.44) CCR1TRPV4STAT6STAT5ASTAT5B
SCHEMBL4053522 0.90 TRPV4 (0.51) CCR1TRPV4STAT6STAT5ASTAT5B
SCHEMBL4050589 0.90 TRPV4 (0.44) CCR1TRPV4STAT6STAT5ASTAT5B
SCHEMBL4052860 0.90 NPY5R (0.47) CCR1TRPV4STAT6STAT5ASTAT5B
SCHEMBL4052986 0.89 NPY5R (0.44) CCR1TRPV4STAT6STAT5ASTAT5B
SCHEMBL4056979 0.89 TRPV4 (0.44) CCR1TRPV4STAT6STAT5ASTAT5B
SCHEMBL4053892 0.88 STAT6 (0.40) CCR1TRPV4STAT6STAT5ASTAT5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 EP claimed
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO claimed
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed