SCHEMBL4590803

SCHEMBL4590803

CC(C)(C)n1ncc2cnc(C3CN(c4nc5ccccc5[nH]4)C3)nc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.46
TRPC3 Q13507 1/20 0.43
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
HTR3A P46098 1/20 0.40
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
PAX8 Q06710 1/20 0.36
SORD Q00796 1/20 0.35

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
SCHEMBL4590830 0.80 BCHE (0.45) PDE10ATRPC3BCHEACHEHTR3A
SCHEMBL4510882 0.77 PDE10A (0.44) PDE10ATRPC3BCHEACHEHTR3A
SCHEMBL4502697 0.64 AURKA (0.41) PDE10A
SCHEMBL2593940 0.63 PDE10A (1.00) PDE10A
Hydrochloric Acid SCHEMBL7670024 0.63 HTR3A (0.59) PDE10ATRPC3BCHEACHEHTR3A
SCHEMBL14587776 0.62 TRPC3 (0.68) TRPC3BCHEACHEHTR3ATP53
SCHEMBL4512357 0.61 KMT2A (0.53) PDE10ATP53RAB9AMAPTKDM4E
SCHEMBL13450331 0.61 TRPC3 (1.00) TRPC3BCHEACHEHTR3ATP53
SCHEMBL2676103 0.61 BCHE (0.96) TRPC3BCHEACHEHTR3ATP53
SCHEMBL2674037 0.61 BCHE (0.90) TRPC3BCHEACHEHTR3ATP53

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-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO claimed