SCHEMBL7946404

SCHEMBL7946404

CN(C)c1ccc(-c2ccc(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)[C@@H](NC(=O)C3Cc4ccccc4N3)C(C)(C)C)nc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.32
ELANE P08246 4/20 0.32
MMP8 P22894 2/20 0.30
DGAT1 O75907 2/20 0.30
MAPT P10636 2/20 0.30
MMP3 P08254 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
GAA P10253 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
SCHEMBL1550068 0.78 STAT6 (0.39)
SCHEMBL3223565 0.78 DGAT1 (0.40) DGAT1
SCHEMBL6880594 0.75 REN (0.35) RENDGAT1MAPTGAA
SCHEMBL8002379 0.74 GAA (0.40) RENELANEMAPTGAA
SCHEMBL7933396 0.73 GRM1 (0.40) RENMAPTKDM4EALDH1A1LMNA
SCHEMBL1549663 0.73 STAT6 (0.38)
SCHEMBL12553013 0.71 CASP1 (0.40)
SCHEMBL1549976 0.71 CYP51A1 (0.40)
SCHEMBL19856859 0.71 CYP51A1 (0.40)
SCHEMBL1550050 0.71 CYP51A1 (0.40)

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-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed