SCHEMBL4050971

SCHEMBL4050971

CC(C)(C)C(NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1cccc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 5/20 0.37
STAT5A P42229 3/20 0.37
STAT5B P51692 2/20 0.37
NPY5R Q15761 3/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
VHL P40337 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PREP P48147 1/20 0.35
DPP4 P27487 1/20 0.35
CCR8 P51685 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
CCR1 P32246 1/20 0.34

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
SCHEMBL4052453 0.93 NPY5R (0.39) STAT6STAT5ASTAT5BNPY5RCTSB
SCHEMBL4052986 0.91 NPY5R (0.44) STAT6STAT5ASTAT5BNPY5RCTSB
SCHEMBL4055537 0.89 TRPV4 (0.41) STAT6STAT5ASTAT5BNPY5RKDM4E
SCHEMBL4051924 0.89 TRPV4 (0.42) STAT6STAT5ASTAT5BNPY5RCTSB
SCHEMBL4050227 0.89 STAT6 (0.41) STAT6STAT5ASTAT5BNPY5RCCR8
SCHEMBL4049802 0.88 L3MBTL1 (0.44) STAT6STAT5ASTAT5BNPY5R
SCHEMBL4053906 0.87 NPY5R (0.48) STAT6STAT5ASTAT5BNPY5RCCR8
SCHEMBL8007248 0.86 NPY5R (0.35) STAT6STAT5ASTAT5BNPY5RCTSB
SCHEMBL4052860 0.86 NPY5R (0.47) STAT6STAT5ASTAT5BNPY5RCCR8
SCHEMBL4056428 0.86 STAT6 (0.38) STAT6STAT5ASTAT5BNPY5RCCR8

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-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