SCHEMBL7374649

SCHEMBL7374649

CCCC(CC(=O)NCC(C)C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
EPHX1 P07099 1/20 0.38
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
GRIK1 P39086 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
GRIK2 Q13002 1/20 0.37
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 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
SCHEMBL8424725 0.84 CA1 (0.42) CA1CA2HDAC7HDAC8HDAC6
SCHEMBL4912359 0.76 TDP1 (0.46) CA1CA2HDAC7HDAC8HDAC6
SCHEMBL3914198 0.75 CA1 (0.48) CA1CA2EPHX1HDAC7HDAC8
SCHEMBL14381150 0.74 CYP2D6 (0.45) CYP2D6CYP2C19EPHX1HPGDNPSR1
SCHEMBL27734500 0.74 CYP2D6 (0.45) CYP2D6CYP2C19EPHX1HPGDNPSR1
SCHEMBL8426506 0.74 CA2 (0.58) CA1CA2SLC1A3SLC1A2SLC1A1
SCHEMBL7370650 0.73 TDP1 (0.40) CYP2D6CA1CA2EPHX1TDP1
SCHEMBL7371375 0.73 TSHR (0.41) CYP2D6CA1CA2EPHX1TDP1
SCHEMBL7353715 0.73 CA2 (0.50) CA1CA2EPHX1HDAC7HDAC8
SCHEMBL7353712 0.73 CA2 (0.50) CA1CA2EPHX1HDAC7HDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102752-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION Du Pont Pharmaceuticals Company (US) 2001-05-30 EP claimed
WO-2000007995-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2000-02-17 WO claimed
EP-1102752-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION Du Pont Pharmaceuticals Company (US) 2001-05-30 EP disclosed
WO-2000007995-A1 SUCCINOYLAMINO LACTAMS AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2000-02-17 WO disclosed