SCHEMBL7457016

SCHEMBL7457016

N=C(N)N(C(=O)c1c[nH]cn1)[C@H](CO)CCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADA P00813 3/20 0.39
ANPEP P15144 2/20 0.31
ERAP1 Q9NZ08 2/20 0.31
ERAP2 Q6P179 1/20 0.31
FAAH O00519 1/20 0.31
NOS1 P29475 1/20 0.30

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
SCHEMBL7451697 0.83 ADA (0.40) ADAFAAH
SCHEMBL7857343 0.77 MEN1 (0.36)
SCHEMBL7839013 0.70 ADA (0.32) ADAFAAH
SCHEMBL7453033 0.70 CTSG (0.44) ADA
SCHEMBL27521385 0.69 ADA (0.39) ADA
SCHEMBL8865190 0.66 KEAP1 (0.47) FAAH
SCHEMBL5219663 0.66 APOBEC3A (0.52)
SCHEMBL7837953 0.65 SMN1; SMN2 (0.45)
SCHEMBL7451211 0.65 SMN1; SMN2 (0.45)
SCHEMBL7457145 0.64 TSHR (0.35) ADA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098885-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-16 EP disclosed
WO-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed
WO-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO disclosed