SCHEMBL4048474

SCHEMBL4048474

COc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C(CC(C)C)NC(=O)c2cc3ccccc3s2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.54
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
UTS2R Q9UKP6 4/20 0.41
CTSK P43235 6/20 0.40
CCR1 P32246 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CLK1 P49759 1/20 0.36
NPY5R Q15761 1/20 0.35
CCR8 P51685 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
SCHEMBL4051572 0.92 TRPV4 (0.64) TRPV4TAS1R3TAS1R1UTS2RCTSK
SCHEMBL4058972 0.92 TRPV4 (0.56) TRPV4TAS1R3TAS1R1UTS2RCTSK
SCHEMBL4051481 0.92 TRPV4 (0.64) TRPV4TAS1R3TAS1R1UTS2RCTSK
SCHEMBL19856860 0.92 TRPV4 (0.64) TRPV4TAS1R3TAS1R1UTS2RCTSK
SCHEMBL4049334 0.92 TRPV4 (0.64) TRPV4TAS1R3TAS1R1UTS2RCTSK
SCHEMBL4057834 0.91 TRPV4 (0.56) TRPV4TAS1R3TAS1R1UTS2RCTSK
SCHEMBL4057534 0.91 TRPV4 (0.55) TRPV4TAS1R3TAS1R1UTS2RCTSK
SCHEMBL4056988 0.91 TRPV4 (0.55) TRPV4TAS1R3TAS1R1UTS2RCTSK
SCHEMBL4052494 0.89 TRPV4 (0.42) TRPV4TAS1R3TAS1R1UTS2RCCR1
SCHEMBL4059049 0.89 TRPV4 (0.53) TRPV4TAS1R3TAS1R1UTS2RCTSK

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