SCHEMBL7263757

SCHEMBL7263757

C[C@H](O)[C@@H](CCOc1cccc(-c2ccccc2Cl)c1)NC(=O)c1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTT P42858 1/20 0.38
SLC5A1 P13866 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CTSA P10619 3/20 0.36
MAPT P10636 1/20 0.36
FFAR1 O14842 2/20 0.36
FABP3 P05413 2/20 0.35
CASR P41180 1/20 0.35
LTB4R Q15722 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL7263737 0.88 AVPR1B (0.41) HTTSLC5A1LTB4RCNR2
SCHEMBL7259490 0.88 CNR1 (0.39) HTTSLC5A1
SCHEMBL7263079 0.86 TP53 (0.46) FFAR1LTB4RCNR2
SCHEMBL7258783 0.85 ROCK2 (0.37) SLC5A1
SCHEMBL7259234 0.84 FFAR4 (0.41) SLC5A1CTSAMAPT
SCHEMBL7259376 0.84 MRGPRX4 (0.39) SLC5A1
SCHEMBL7259217 0.84 SMN1; SMN2 (0.41) MAPTFFAR1
SCHEMBL7258938 0.83 KDM4E (0.42) HDAC6
SCHEMBL7258741 0.83 HSD17B1 (0.38) SLC5A1MAPT
SCHEMBL7258877 0.83 SMN1; SMN2 (0.40) FFAR1FABP3

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-2003006437-A1 IMIDAZOLE DERIVATIVES AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-23 WO disclosed