SCHEMBL8007072

SCHEMBL8007072

CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2cc3ccccn3c2)C1C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.41
CCR1 P32246 4/20 0.36
ELANE P08246 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CCR5 P51681 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL7995251 0.83 TRPV4 (0.45) TRPV4CTSK
SCHEMBL8005433 0.83 TRPV4 (0.61) TRPV4CCR1CTSK
SCHEMBL8008195 0.83 TRPV4 (0.43) TRPV4
SCHEMBL8004208 0.83 TRPV4 (0.43) TRPV4CCR1
SCHEMBL4059005 0.82 TRPV4 (0.42) TRPV4CCR1CA1CA2CTSK
SCHEMBL8005363 0.72 PYGL (0.41)
SCHEMBL4053067 0.69 TRPV4 (0.46) TRPV4CCR1CA1CA2CTSK
SCHEMBL8006947 0.65 TRPV4 (0.45) TRPV4CCR1CA1CA2CTSK
SCHEMBL4049707 0.65 TRPV4 (0.45) TRPV4CCR1
SCHEMBL4051481 0.65 TRPV4 (0.64) TRPV4CCR1CTSK

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