SCHEMBL4059005

SCHEMBL4059005

CC(C)C[C@H](NC(=O)c1cc2ccccn2c1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 5/20 0.42
CCR1 P32246 4/20 0.39
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CTSK P43235 4/20 0.32
CHRNA7 P36544 1/20 0.32
CTSL P07711 3/20 0.31
BCL2 P10415 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
CTSS P25774 2/20 0.31
CTSB P07858 1/20 0.31
ITGAV P06756 1/20 0.31
PSMB5 P28074 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
SCHEMBL4053067 0.86 TRPV4 (0.46) TRPV4CCR1CA1CA2CTSK
SCHEMBL8007072 0.82 TRPV4 (0.41) TRPV4CCR1CA1CA2CTSK
SCHEMBL4054443 0.82 TRPV4 (0.46) TRPV4CTSKCTSLCTSSCTSB
SCHEMBL4049334 0.82 TRPV4 (0.64) TRPV4CCR1CTSKCTSSCTSB
SCHEMBL4051572 0.82 TRPV4 (0.64) TRPV4CCR1CTSKCTSSCTSB
SCHEMBL19856860 0.82 TRPV4 (0.64) TRPV4CCR1CTSKCTSSCTSB
SCHEMBL4051481 0.82 TRPV4 (0.64) TRPV4CCR1CTSKCTSSCTSB
SCHEMBL4049707 0.82 TRPV4 (0.45) TRPV4CCR1CTSLCTSS
SCHEMBL4056496 0.82 TAS1R3 (0.46) TRPV4CTSKCTSLCTSS
SCHEMBL4051232 0.81 TRPV4 (0.49) TRPV4CCR1

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