SCHEMBL7259018

SCHEMBL7259018

C[C@H](O)[C@@H](CCOc1cccc(-c2ccc(Cl)cc2)n1)NC(=O)c1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.40
CTSA P10619 2/20 0.40
CNR2 P34972 6/20 0.37
SCN9A Q15858 6/20 0.36
CNR1 P21554 2/20 0.35
GPR52 Q9Y2T5 1/20 0.35
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
CYP3A4 P08684 1/20 0.34
PSMB1 P20618 1/20 0.34
CMA1 P23946 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB9 P28065 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB10 P40306 1/20 0.34
PSMB2 P49721 1/20 0.34

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
SCHEMBL7263972 0.93 CNR2 (0.43) LTB4RCTSACNR2CNR1ELANE
SCHEMBL7259495 0.87 LTB4R (0.36) LTB4RCTSACNR2SCN9ACNR1
SCHEMBL7259490 0.82 CNR1 (0.39) CNR1
SCHEMBL7263879 0.79 MAPT (0.40)
SCHEMBL7263737 0.79 AVPR1B (0.41) LTB4RCNR2CNR1
SCHEMBL7263912 0.76 ADA (0.39) SCN9A
SCHEMBL7448837 0.76 ALDH1A1 (0.44)
SCHEMBL7258783 0.76 ROCK2 (0.37) CNR1
SCHEMBL7259234 0.75 FFAR4 (0.41) CTSACNR1
SCHEMBL7258938 0.75 KDM4E (0.42)

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