SCHEMBL8345790

SCHEMBL8345790

COC(=O)[C@@H](N)Cc1cn(CCc2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 10/20 0.43
CPB1 P15086 4/20 0.43
LTA4H P09960 2/20 0.39
SIRT2 Q8IXJ6 2/20 0.39
LPAR1 Q92633 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL6069460 0.88 CDK5 (0.47) CPB2CPB1LTA4HSIRT2
SCHEMBL6527840 0.88 CDK5 (0.47) CPB2CPB1LTA4HSIRT2
Hydrochloric Acid SCHEMBL6527843 0.87 CDK5 (0.46) CPB2CPB1LTA4HSIRT2
Hydrochloric Acid SCHEMBL5997862 0.87 CDK5 (0.46) CPB2CPB1LTA4HSIRT2
Hydrochloric Acid SCHEMBL6527838 0.87 CDK5 (0.46) CPB2CPB1LTA4HSIRT2
Hydrochloric Acid SCHEMBL7356305 0.87 CDK5 (0.46) CPB2CPB1LTA4HSIRT2
SCHEMBL6326552 0.87 SLC7A5 (0.50) CPB2CPB1
SCHEMBL8348975 0.83 CPB2 (0.57) CPB2CPB1
SCHEMBL8366596 0.81 MEN1 (0.40) CPB2CPB1SIRT2LPAR1MEN1
SCHEMBL8349095 0.81 CPB2 (0.44) CPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003061653-A9 3-(IMIDAZOLYL)-2-AMINOPROPANOIC ACIDS FOR USE AS TAFI-A INHIBITORS FOR THE TREATMENT OF THROMBOTIC DISEASES PFIZER LTD (GB) 2003-12-24 WO disclosed
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