SCHEMBL4051255

SCHEMBL4051255

CC(C)(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.41
PLD2 O14939 1/20 0.40
PLD1 Q13393 1/20 0.40
KMT2A Q03164 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
HTRA1 Q92743 6/20 0.36
MC4R P32245 1/20 0.35
CASP1 P29466 1/20 0.35
CASP4 P49662 1/20 0.35
CASP5 P51878 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP8 Q14790 1/20 0.35
CASP10 Q92851 1/20 0.35
PREP P48147 1/20 0.35
DPP4 P27487 1/20 0.35
CCR3 P51677 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
SCHEMBL4057673 0.86 PYGL (0.39)
SCHEMBL4051597 0.86 TRPV4 (0.44) CCR1DPP4
SCHEMBL4056095 0.86 TRPV4 (0.44) CCR1DPP4
SCHEMBL4055158 0.86 NPC1 (0.38) KMT2ADPP4
SCHEMBL4051117 0.84 ALOX15 (0.42)
SCHEMBL4053067 0.82 TRPV4 (0.46) CCR1PLD2PLD1KMT2AHTRA1
SCHEMBL4056947 0.82 CCR1 (0.35) CCR1CASP1CASP4CASP5CASP7
SCHEMBL4058202 0.81 ALB (0.38) DPP4
SCHEMBL4053522 0.80 TRPV4 (0.51) CCR1
SCHEMBL4057362 0.80 PYGL (0.39)

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