SCHEMBL8366352

SCHEMBL8366352

COC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)N1CC[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.46
KCNA3 P22001 1/20 0.42
KDM4D Q6B0I6 5/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40

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
SCHEMBL8348613 1.00 SIRT2 (0.46) SIRT2KCNA3KDM4DCKS1BSKP1
SCHEMBL6335174 0.93 KCNA3 (0.43) SIRT2KCNA3KDM4DCKS1BSKP1
SCHEMBL6335407 0.93 KCNA3 (0.43) SIRT2KCNA3KDM4DCKS1BSKP1
SCHEMBL6326986 0.93 KCNA3 (0.43) SIRT2KCNA3KDM4DCKS1BSKP1
SCHEMBL8364805 0.89 SIRT2 (0.47) SIRT2
SCHEMBL6324984 0.89 SIRT2 (0.41) SIRT2KCNA3KDM4D
SCHEMBL6329501 0.83 CTSL (0.46) SIRT2
SCHEMBL8363823 0.81 KDM4D (0.43) KDM4D
SCHEMBL8347758 0.80 SIRT2 (0.55) SIRT2
SCHEMBL8364700 0.80 SIRT2 (0.55) SIRT2

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-2003061653-A1 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LIMITED (GB) 2003-07-31 WO disclosed