SCHEMBL6884666

SCHEMBL6884666

CCNC(=O)C1CCC(CN)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.53
LMNA P02545 2/20 0.53
PLAT P00750 1/20 0.53
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.40
PLAU P00749 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HSP90AB1 P08238 2/20 0.39
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Hydrochloric Acid SCHEMBL3788708 0.98 PLG (0.52) PLGLMNAPLATCYP2D6CYP1A2
SCHEMBL1678458 0.85
SCHEMBL8601794 0.85 LMNA (0.50) PLGLMNAPLATCYP2D6CYP1A2
SCHEMBL8601792 0.85 LMNA (0.50) PLGLMNAPLATCYP2D6CYP1A2
SCHEMBL687030 0.84 OPRM1 (0.48) CYP2D6CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL15580639 0.84 OPRM1 (0.48) CYP2D6CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL15200265 0.84 OPRM1 (0.48) CYP2D6CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8594845 0.84 NAAA (0.58) PLGLMNAPLATKMT2APLAU
SCHEMBL8594847 0.84 NAAA (0.58) PLGLMNAPLATKMT2APLAU
Hydrochloric Acid SCHEMBL3792018 0.84 LMNA (0.48) PLGLMNAPLATCYP2D6CYP1A2

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-2011070541-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO disclosed