SCHEMBL14397191

SCHEMBL14397191

CCC(C)C(=O)N1CCNC(C)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.43
EPHX2 P34913 5/20 0.42
PLD1 Q13393 3/20 0.42
PLD2 O14939 2/20 0.42
HRH4 Q9H3N8 1/20 0.38
DPP4 P27487 6/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
CYP3A4 P08684 2/20 0.36
UGCG Q16739 2/20 0.36

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
SCHEMBL26814687 0.82 CHRNB2 (0.48) BIRC2PLD1PLD2HRH4DPP4
SCHEMBL14164982 0.82 CHRNB2 (0.48) BIRC2PLD1PLD2HRH4DPP4
SCHEMBL14165240 0.82 CHRNB2 (0.48) BIRC2PLD1PLD2HRH4DPP4
SCHEMBL4236961 0.80 EPHX2 (0.47) EPHX2CYP3A4
SCHEMBL16435181 0.80 EPHX2 (0.47) EPHX2CYP3A4
SCHEMBL14865199 0.77 PLD1 (0.40) BIRC2PLD1PLD2HRH4CYP3A4
SCHEMBL16509278 0.75 BIRC2 (0.56) BIRC2EPHX2HRH4
SCHEMBL28923130 0.75 BIRC2 (0.56) BIRC2EPHX2HRH4
SCHEMBL22828732 0.75 BIRC2 (0.56) BIRC2EPHX2HRH4
SCHEMBL19672749 0.75 EPHX2 (0.47) EPHX2DPP4CYP3A4

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-2007111921-A1 1-PHENYLSULFONYL-DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AS MODULATORS OF HYDROXSTEROID DEHYDROGENASES AMGEN INC. (US) 2007-10-04 WO disclosed