SCHEMBL4058586

SCHEMBL4058586

CC(C)[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.52
CCR1 P32246 3/20 0.52
NPY5R Q15761 2/20 0.38
UTS2R Q9UKP6 1/20 0.37
CCR8 P51685 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
OPRM1 P35372 3/20 0.36
PIN1 Q13526 1/20 0.36
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CTSK P43235 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
SCHEMBL4053522 0.91 TRPV4 (0.51) TRPV4CCR1NPY5RCCR8TAS1R3
SCHEMBL4051572 0.90 TRPV4 (0.64) TRPV4CCR1NPY5RUTS2RCCR8
SCHEMBL4051481 0.90 TRPV4 (0.64) TRPV4CCR1NPY5RUTS2RCCR8
SCHEMBL4049334 0.90 TRPV4 (0.64) TRPV4CCR1NPY5RUTS2RCCR8
SCHEMBL19856860 0.90 TRPV4 (0.64) TRPV4CCR1NPY5RUTS2RCCR8
SCHEMBL13996613 0.86 TRPV4 (0.56) TRPV4CCR1NPY5RUTS2RCCR8
SCHEMBL8006169 0.86 TRPV4 (0.50) TRPV4CCR1NPY5RUTS2RCCR8
SCHEMBL4050589 0.85 TRPV4 (0.44) TRPV4CCR1NPY5RCCR8TAS1R3
SCHEMBL4051597 0.85 TRPV4 (0.44) TRPV4CCR1NPY5RCCR8TAS1R3
SCHEMBL4056095 0.85 TRPV4 (0.44) TRPV4CCR1NPY5RCCR8TAS1R3

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
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