SCHEMBL8002379

SCHEMBL8002379

CC(C)(C)[C@H](NC(=O)C1Cc2ccccc2N1)C(=O)N1C[C@@H]2C[C@H]1CN2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
XIAP P98170 2/20 0.37
SMYD3 Q9H7B4 1/20 0.36
ELANE P08246 5/20 0.35
REN P00797 1/20 0.35
MASP2 O00187 1/20 0.35
F2 P00734 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
BIRC2 Q13490 2/20 0.34
EPHX2 P34913 1/20 0.33
MC4R P32245 1/20 0.33

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
SCHEMBL25664269 0.79 GAA (0.37) GAAMAPTXIAPSMYD3ELANE
SCHEMBL25877347 0.78 GAA (0.40) GAAMAPT
SCHEMBL3229202 0.75 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7946404 0.74 REN (0.32) GAAMAPTELANEREN
SCHEMBL7934107 0.72 CASP1 (0.44)
SCHEMBL1931082 0.72 DRD2 (0.41) GAAXIAPBIRC2
SCHEMBL1931296 0.72 DRD2 (0.41) GAAXIAPBIRC2
SCHEMBL12552719 0.72 DRD2 (0.41) GAAXIAPBIRC2
SCHEMBL1550688 0.71 DRD2 (0.47) GAA
SCHEMBL1366811 0.69 GAA (0.60) GAAMAPTSMYD3RENMASP2

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-2009146182-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-03 WO disclosed