SCHEMBL20054477

SCHEMBL20054477

NCc1ncc(-c2cc3cc4oc(-c5cnc(CN)[nH]5)cc4cc3o2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.43
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31

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
SCHEMBL20054582 0.79 SHBG (0.40) PDE10A
SCHEMBL20054474 0.72 PDE10A (0.32) PDE10A
SCHEMBL20054552 0.67 NLN (0.43) PDE10A
SCHEMBL12965884 0.64 CHRNB2 (0.39)
SCHEMBL20055405 0.61 TRPV1 (0.46) PDE10A
SCHEMBL1408151 0.60 LOXL2 (0.37) PDE10A
SCHEMBL20054554 0.60 AAK1 (0.46) PDE10A
SCHEMBL17066706 0.59 MAOB (0.43) PDE10ANPC1RAB9A
SCHEMBL16177862 0.59
SCHEMBL20054467 0.57 PDE10A (0.40) PDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed