SCHEMBL20064573

SCHEMBL20064573

Cc1ccc(N2CC(NC=O)C2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
PDE10A Q9Y233 1/20 0.39
PANK3 Q9H999 1/20 0.38
SMO Q99835 4/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 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
SCHEMBL19604915 0.81 HRH3 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20064397 0.80 ACACB (0.39) GPR119HDAC6SLC6A9
SCHEMBL20133354 0.77 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26748822 0.77 PANK3 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16472352 0.75 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10154595 0.75 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20064053 0.75 USP30 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23843149 0.74 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18086472 0.74 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30937175 0.74 PDE10A (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed