SCHEMBL7995046

SCHEMBL7995046

Cc1cc(C)c2cc(C(=O)N[C@H](C(=O)N3C[C@H]4N(C(=O)CNS(=O)(=O)c5cc(Cl)ccc5Cl)CC43C)C(C)(C)C)[nH]c2c1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
EPHX2 P34913 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
SCHEMBL8007197 0.92 CCR1 (0.33) KDM4E
SCHEMBL8004714 0.89 ALOX15 (0.40)
SCHEMBL7996364 0.88 ALB (0.36)
SCHEMBL8004923 0.87 PYGL (0.37)
SCHEMBL8006223 0.86 PYGL (0.39)
SCHEMBL7997127 0.86 STAT6 (0.36)
SCHEMBL7995568 0.80 DRD2 (0.34)
SCHEMBL7996360 0.79 SMYD3 (0.36)
SCHEMBL8007063 0.79 TRPV4 (0.42)
SCHEMBL8007066 0.79 TRPV4 (0.42)

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