SCHEMBL28896115

SCHEMBL28896115

O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.90

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.90
CYP3A4 P08684 1/20 0.90
CYP2C9 P11712 1/20 0.90
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL28896118 1.00 NAMPT (0.90) NAMPTCYP3A4CYP2C9HDAC3HDAC4
Daporinad SCHEMBL31181445 0.95 NAMPT (1.00) NAMPTCYP3A4CYP2C9HDAC3HDAC4
Daporinad SCHEMBL29635857 0.95 NAMPT (1.00) NAMPTCYP3A4CYP2C9HDAC3HDAC4
Daporinad SCHEMBL82368 0.95 NAMPT (1.00) NAMPTCYP3A4CYP2C9HDAC3HDAC4
Daporinad SCHEMBL82367 0.95 NAMPT (1.00) NAMPTCYP3A4CYP2C9HDAC3HDAC4
Daporinad SCHEMBL156944 0.95 NAMPT (1.00) NAMPTCYP3A4CYP2C9HDAC3HDAC4
Daporinad SCHEMBL23924298 0.94 NAMPT (0.98) NAMPTCYP3A4CYP2C9HDAC3HDAC4
SCHEMBL3458354 0.94 NAMPT (0.98) NAMPTCYP3A4CYP2C9HDAC3HDAC4
SCHEMBL3458355 0.94 NAMPT (0.98) NAMPTCYP3A4CYP2C9HDAC3HDAC4
Daporinad SCHEMBL30634180 0.94 NAMPT (0.98) NAMPTCYP3A4CYP2C9HDAC3HDAC4

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
CN-111454327-A NAMPT protein degradation targeting chimera and preparation method and application thereof 中国人民解放军第二军医大学 2020-07-28 CN disclosed