SCHEMBL7399474

SCHEMBL7399474

C[C@@H](O)CNNCCCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
EPHX2 P34913 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CAPN1 P07384 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSK P43235 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL4537996 0.85 EPHX2 (0.41) CYP2D6EPHX2CA1CA2CA7
SCHEMBL20674800 0.76 EPHX2 (0.40) CYP2D6EPHX2CA1CA2CA7
SCHEMBL397490 0.75 CYP2D6 (0.40) CYP2D6EPHX2CA1CA2CA7
SCHEMBL396125 0.75 CYP2D6 (0.40) CYP2D6EPHX2CA1CA2CA7
SCHEMBL396124 0.75 CYP2D6 (0.40) CYP2D6EPHX2CA1CA2CA7
SCHEMBL31226873 0.75 EPHX2 (0.44) CYP2D6EPHX2CA1CA2CA7
SCHEMBL17222818 0.74 EPHX2 (0.40) CYP2D6EPHX2CA1CA2MEN1
SCHEMBL1184772 0.74 MAPT (0.41) CYP2D6EPHX2CA1CA2CA7
SCHEMBL2180265 0.74 MAPT (0.41) CYP2D6EPHX2CA1CA2CA7
SCHEMBL17208366 0.73 CAPN1 (0.46) CYP2D6EPHX2CA1CA2CA7

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
EP-0833638-A1 USE OF IMIDAZO 1,5-a]QUINOLONES AS NEUROPROTECTIVE AGENTS PHARMACIA & UPJOHN COMPANY (US) 1998-04-08 EP disclosed
WO-1997000074-A1 USE OF IMIDAZO[1,5-a]QUINOLONES AS NEUROPROTECTIVE AGENTS PHARMACIA & UPJOHN COMPANY (US) 1997-01-03 WO disclosed