SCHEMBL4739290

SCHEMBL4739290

CSCCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)O2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
NAMPT P43490 1/20 0.30
HCN1 O60741 1/20 0.30
HCN4 Q9Y3Q4 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL4734073 0.89 CHIA (0.33) NPC1RAB9AHCN1HCN4
SCHEMBL4737025 0.87 HPGD (0.40) NAMPTHCN1HCN4
SCHEMBL4739132 0.86 KDM4E (0.40) NPC1RAB9A
SCHEMBL4739802 0.86 NPC1 (0.32) NPC1RAB9A
SCHEMBL4737853 0.85 PTGES (0.38) HCN1HCN4
SCHEMBL4737882 0.84 RAB9A (0.35) NPC1RAB9A
SCHEMBL4738609 0.83 DHODH (0.36) NPC1RAB9A
SCHEMBL4782354 0.82 KDM4E (0.32)
SCHEMBL4737070 0.81 ALDH1A1 (0.36) NPC1RAB9A
SCHEMBL4737057 0.79 OPRL1 (0.36) PDE10ARAB9A

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-2008071765-A1 PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-06-19 WO claimed