SCHEMBL8010445

SCHEMBL8010445

CC(C)CC(NC(=O)c1cc2ccccc2s1)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2Cl)C[C@@H]1C

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.68
CCR1 P32246 3/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
CTSK P43235 5/20 0.41
UTS2R Q9UKP6 3/20 0.39
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
PIN1 Q13526 1/20 0.37
CCR8 P51685 1/20 0.36
ACKR3 P25106 1/20 0.36

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
SCHEMBL4972317 1.00 TRPV4 (0.68) TRPV4CCR1TAS1R3TAS1R1CTSK
SCHEMBL4972801 0.95 TRPV4 (0.69) TRPV4CCR1TAS1R3TAS1R1CTSK
SCHEMBL8006832 0.93 TRPV4 (0.58) TRPV4CCR1TAS1R3TAS1R1CTSK
SCHEMBL4980366 0.90 TRPV4 (0.80) TRPV4CCR1TAS1R3TAS1R1CTSK
SCHEMBL19856860 0.87 TRPV4 (0.64) TRPV4CCR1TAS1R3TAS1R1CTSK
SCHEMBL4049334 0.87 TRPV4 (0.64) TRPV4CCR1TAS1R3TAS1R1CTSK
SCHEMBL4051481 0.87 TRPV4 (0.64) TRPV4CCR1TAS1R3TAS1R1CTSK
SCHEMBL4051572 0.87 TRPV4 (0.64) TRPV4CCR1TAS1R3TAS1R1CTSK
SCHEMBL13996613 0.86 TRPV4 (0.56) TRPV4CCR1TAS1R3TAS1R1UTS2R
SCHEMBL5007928 0.82 TRPV4 (0.49) TRPV4CCR1CCR8ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111680-A1 TRPV4 ANTAGONISTS SMITHLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed