SCHEMBL30765295

SCHEMBL30765295

C[C@@H]1CN(C(=O)c2ccc(-c3cc4nccc(Cl)c4o3)cc2)CCO1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLRA1 P23415 1/20 0.44
PDE2A O00408 9/20 0.41
LIPG Q9Y5X9 2/20 0.39
SYK P43405 1/20 0.38
GRIN2B Q13224 1/20 0.38
NPC1 O15118 1/20 0.38
VNN1 O95497 2/20 0.38
SLC6A7 Q99884 1/20 0.37
NAMPT P43490 1/20 0.37
LIPC P11150 1/20 0.36

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
SCHEMBL30765185 1.00 GLRA1 (0.44) GLRA1PDE2ALIPGSYKGRIN2B
SCHEMBL30765147 0.89 NPC1 (0.51) NPC1NAMPT
SCHEMBL723467 0.83 HPGD (0.48) NPC1SLC6A7
SCHEMBL30765255 0.81 GLRA1 (0.39) GLRA1PDE2ALIPGGRIN2BNPC1
SCHEMBL30765285 0.81 GLRA1 (0.39) GLRA1PDE2ALIPGGRIN2BNPC1
SCHEMBL30765202 0.81 GLRA1 (0.39) GLRA1PDE2ALIPGGRIN2BNPC1
SCHEMBL32672619 0.78 GLRA1 (0.38) GLRA1PDE2ALIPGVNN1NAMPT
SCHEMBL32672561 0.78 GLRA1 (0.38) GLRA1PDE2ALIPGVNN1NAMPT
SCHEMBL30765206 0.77 KDM5A (0.44) GRIN2BSLC6A7
SCHEMBL30765421 0.77 LRRK2 (0.42) NAMPT

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-2024033280-A1 FUROPYRIDIN AND FUROPYRIMIDIN, INHIBITORS OF PI4K, FOR USE IN THE TREATMENT OF PARASITE INFECTION AND MALARIA MERCK PATENT GMBH (DE) 2024-02-15 WO disclosed