SCHEMBL7258922

SCHEMBL7258922

C[C@H](OCc1ccccc1)[C@@H](CCOc1ccc2ccncc2c1)NC(=O)c1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
NAMPT P43490 1/20 0.37
ROCK2 O75116 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
GPR132 Q9UNW8 4/20 0.35
MAOA P21397 2/20 0.35
MAPT P10636 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
ADA P00813 1/20 0.34
MET P08581 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL7453006 0.93 NPC1 (0.40) MRGPRX4NPC1RAB9AMAOAMAPT
SCHEMBL7263594 0.86 RAB9A (0.43) NPC1RAB9AMAPTPPARGPPARA
SCHEMBL7258751 0.84 ATM (0.40) MRGPRX4NPC1RAB9APPARGPPARA
SCHEMBL7263297 0.81 KMT2A (0.43)
SCHEMBL7264011 0.81 MCHR1 (0.39) MAPT
SCHEMBL7259588 0.81 LMNA (0.44) MAOAMAPT
SCHEMBL7449714 0.79 MMP9 (0.38) MAPT
SCHEMBL7448681 0.79 KMT2A (0.40)
SCHEMBL7449950 0.78 ALDH1A1 (0.41) MRGPRX4MAPT
SCHEMBL7548111 0.78 MMP9 (0.35) NPC1MAPT

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