SCHEMBL4051232

SCHEMBL4051232

CC(C)C[C@H](NC(=O)c1nc2ccccc2s1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.49
CCR1 P32246 2/20 0.43
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CYP26A1 O43174 4/20 0.37
ACLY P53396 2/20 0.36
HTRA1 Q92743 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL19856860 0.88 TRPV4 (0.64) TRPV4CCR1
SCHEMBL4049334 0.88 TRPV4 (0.64) TRPV4CCR1
SCHEMBL4051481 0.88 TRPV4 (0.64) TRPV4CCR1
SCHEMBL4051572 0.88 TRPV4 (0.64) TRPV4CCR1
SCHEMBL4049305 0.85 TRPV4 (0.42) TRPV4CCR1HTRA1ALDH1A1LMNA
SCHEMBL4053067 0.84 TRPV4 (0.46) TRPV4CCR1CASP1HTRA1KMT2A
SCHEMBL4056988 0.83 TRPV4 (0.55) TRPV4CCR1
SCHEMBL4058972 0.82 TRPV4 (0.56) TRPV4CCR1
SCHEMBL4058975 0.82 TRPV4 (0.56) TRPV4CCR1
SCHEMBL4049707 0.82 TRPV4 (0.45) TRPV4CCR1MEN1KMT2A

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