SCHEMBL7263100

SCHEMBL7263100

C[C@H](O)[C@@H](CCOc1ccc2ccc(C#N)cc2c1)NC(=O)c1c[nH]cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.44
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
ADA P00813 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
EGLN1 Q9GZT9 5/20 0.35
PORCN Q9H237 1/20 0.34
ACACB O00763 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
SCHEMBL7263969 0.88 ADA (0.40) ADA
SCHEMBL7263912 0.87 ADA (0.39) SCN9AADA
SCHEMBL7263295 0.86 ADA (0.39) SCN9AADA
SCHEMBL7259594 0.81 NPC1 (0.40)
SCHEMBL7258938 0.80 KDM4E (0.42)
SCHEMBL7263288 0.80 RAB9A (0.47) ADAACACB
SCHEMBL7453006 0.76 NPC1 (0.40) ADA
SCHEMBL7258813 0.76 POLB (0.38)
SCHEMBL7259217 0.75 SMN1; SMN2 (0.41) ACACB
SCHEMBL7259234 0.74 FFAR4 (0.41) ACACB

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