SCHEMBL8366282

SCHEMBL8366282

COC(=O)[C@H](Cc1cn(CCCC2CCCCC2)cn1)N1CC[C@H](NC(=O)OCc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
EPHX1 P07099 1/20 0.39
HSD11B1 P28845 1/20 0.38
DPP4 P27487 1/20 0.37
KCNH2 Q12809 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GPR55 Q9Y2T6 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMPD3 Q9NY59 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL8349522 0.95 CPB1 (0.45) CTSLCTSBCTSKCPB1CPB2
SCHEMBL6325305 0.94 CPB1 (0.43) CTSLCTSBCTSKCPB1CPB2
SCHEMBL6327080 0.89 CPB1 (0.48) CTSLCTSBCTSKCPB1CPB2
SCHEMBL6404005 0.89 CPB1 (0.48) CTSLCTSBCTSKCPB1CPB2
SCHEMBL8364526 0.89 CTSK (0.46) CTSLCTSBCTSKHSD11B1DPP4
SCHEMBL8349084 0.89 CTSL (0.46) CTSLCTSBCTSKHSD11B1DPP4
SCHEMBL8347734 0.89 CTSL (0.46) CTSLCTSBCTSKCPB1CPB2
SCHEMBL6324698 0.83 CTSL (0.46) CTSLCTSBCTSKCPB2HSD11B1
SCHEMBL6324935 0.83 CTSL (0.46) CTSLCTSBCTSKCPB1CPB2
SCHEMBL6328692 0.82 CTSL (0.47) CTSLCTSBCTSKCPB2HSD11B1

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