SCHEMBL2227305

SCHEMBL2227305

CC1C2CC(CN2C(=O)C(N)C(C)(C)C)N1C(=O)c1ccc(-c2ccccc2)cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.35
DPP4 P27487 4/20 0.35
FAP Q12884 1/20 0.35
HTR2B P41595 1/20 0.34
USP30 Q70CQ3 2/20 0.34
KCNH2 Q12809 2/20 0.34
PDK1 Q15118 2/20 0.34
PDK2 Q15119 2/20 0.34
KIF11 P52732 1/20 0.34
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 0.33
PDE10A Q9Y233 1/20 0.32
CHRNA7 P36544 1/20 0.32
KDM5A P29375 1/20 0.32
GPR88 Q9GZN0 1/20 0.32

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
SCHEMBL16456842 0.84 DGAT1 (0.40) DGAT1DPP4FAPHTR2BUSP30
SCHEMBL1929948 0.84 DGAT1 (0.40) DGAT1DPP4FAPHTR2BUSP30
SCHEMBL2282218 0.71 USP30 (0.53) USP30
SCHEMBL3223565 0.70 DGAT1 (0.40) DGAT1HTR2BUSP30KCNH2PDE10A
SCHEMBL6881971 0.70 HTR2B (0.41) DGAT1HTR2BUSP30KCNH2PDE10A
SCHEMBL2229563 0.70 HTR2B (0.41) DGAT1HTR2BUSP30KCNH2PDE10A
SCHEMBL1550240 0.68 HIF1A (0.36) DGAT1HTR2BUSP30KCNH2CHRNA7
SCHEMBL12553013 0.65 CASP1 (0.40)
SCHEMBL24198723 0.61 HIF1A (0.49) DGAT1
SCHEMBL24757713 0.60 VHL (0.51) DPP4DPP8DPP9

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-2011091407-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLP (US) 2011-07-28 WO disclosed