SCHEMBL8345425

SCHEMBL8345425

CCCn1cnc(C[C@@H](C(=O)O)N2CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 14/20 0.55
CPB1 P15086 5/20 0.55
KDM5A P29375 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
SLC6A3 Q01959 3/20 0.39
SLC6A2 P23975 2/20 0.39
KDM2B Q8NHM5 1/20 0.37

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
SCHEMBL8349794 0.83 LMNA (0.45) CPB2CPB1KDM5AKDM5BSLC6A3
SCHEMBL6326270 0.83 CPB2 (0.65) CPB2CPB1KDM5AKDM5B
SCHEMBL7196421 0.83 CPB2 (0.65) CPB2CPB1KDM5AKDM5B
SCHEMBL8346104 0.82 CPB2 (0.62) CPB2CPB1
SCHEMBL10137873 0.78 CPB2 (0.64) CPB2CPB1KDM5AKDM5B
SCHEMBL10583023 0.77 CPB2 (0.64) CPB2CPB1KDM5AKDM5B
SCHEMBL6328167 0.77 CPB2 (0.64) CPB2CPB1KDM5AKDM5B
SCHEMBL6333894 0.75 KDM4D (0.46) CPB2CPB1
SCHEMBL8366596 0.74 MEN1 (0.40) CPB2CPB1
SCHEMBL6326796 0.73 CPB2 (0.65) 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 1 patent. 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