SCHEMBL7449449

SCHEMBL7449449

C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)NC(=O)c1c[nH]cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.47
P2RX7 Q99572 3/20 0.35
LIPG Q9Y5X9 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PANK3 Q9H999 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL7452035 0.91 SLC6A2 (0.40) ADAP2RX7LIPGMEN1KMT2A
SCHEMBL7450779 0.85 CTSG (0.37) ADALIPGCTSGCMA1LMNA
SCHEMBL7453035 0.84 NPC1 (0.32) ADAP2RX7MEN1KMT2AALDH1A1
SCHEMBL7452233 0.84 RAB9A (0.33) ADALIPGMEN1KMT2ATAAR1
SCHEMBL7849281 0.83 ADA (0.39) ADAP2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL7837015 0.83 ADA (0.47) ADAKMT2ALMNA
SCHEMBL7449045 0.83 ADA (0.38) ADA
SCHEMBL7452225 0.83 ADA (0.38) ADA
SCHEMBL7837953 0.82 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL7451211 0.82 SMN1; SMN2 (0.45) MEN1KMT2AALDH1A1HTTLMNA

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