SCHEMBL8006832

SCHEMBL8006832

CC(C)CC(NC(=O)c1cc2ccccc2s1)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(-c3ccccc3)cc2Cl)CC1C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.58
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
CTSK P43235 5/20 0.40
CCR1 P32246 2/20 0.40
UTS2R Q9UKP6 4/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CCR8 P51685 1/20 0.36
ACKR3 P25106 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 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
SCHEMBL4972317 0.93 TRPV4 (0.68) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL8010445 0.93 TRPV4 (0.68) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL4972801 0.88 TRPV4 (0.69) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL4056988 0.87 TRPV4 (0.55) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL4980366 0.83 TRPV4 (0.80) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL4973064 0.81 TAS1R3 (0.55) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL19856860 0.80 TRPV4 (0.64) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL4051481 0.80 TRPV4 (0.64) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL4058972 0.80 TRPV4 (0.56) TRPV4TAS1R3TAS1R1CTSKCCR1
SCHEMBL4049334 0.80 TRPV4 (0.64) TRPV4TAS1R3TAS1R1CTSKCCR1

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