SCHEMBL8364700

SCHEMBL8364700

COC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.55
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
NMBR P28336 1/20 0.41
PTGS2 P35354 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
SCHEMBL8347758 0.99 SIRT2 (0.55) SIRT2MEN1ALDH1A1LMNAKMT2A
SCHEMBL13617948 0.83 SIRT2 (0.47) SIRT2ALDH1A1LMNA
SCHEMBL22356512 0.81 SIRT2 (0.61) SIRT2ALDH1A1NMBR
SCHEMBL2000374 0.81 SIRT2 (0.61) SIRT2ALDH1A1NMBR
SCHEMBL1999739 0.80 SIRT2 (0.60) SIRT2NMBR
SCHEMBL10026712 0.80 SIRT2 (0.60) SIRT2NMBR
SCHEMBL523065 0.80 SIRT2 (0.60) SIRT2NMBR
SCHEMBL522051 0.80 SIRT2 (0.60) SIRT2NMBR
SCHEMBL8348613 0.80 SIRT2 (0.46) SIRT2
SCHEMBL8366352 0.80 SIRT2 (0.46) 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