SCHEMBL3476341

SCHEMBL3476341

[CH2]C[C@@H]1C[C@@H]2CN(c3ccc(Br)cn3)C[C@@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
AKR1C3 P42330 1/20 0.37
ACACB O00763 1/20 0.37
OGA O60502 1/20 0.34
CXCR3 P49682 1/20 0.34
GRM1 Q13255 1/20 0.33
PANK3 Q9H999 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CHRM4 P08173 1/20 0.32
MMP7 P09237 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 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
SCHEMBL3476343 1.00 PDE10A (0.44) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3476339 1.00 PDE10A (0.44) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17610078 0.86 GRIN2D (0.47) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22795923 0.80 PDE10A (0.43) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22796105 0.80 GRIN2D (0.43) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16174456 0.78 ACACB (0.41) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16174457 0.78 ACACB (0.41) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22660735 0.77 GRIN2B (0.43) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22796039 0.76 GRIN2D (0.45) PDE10AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22796041 0.76 GRIN2D (0.45) PDE10AGRIN2DGRIN3BGRIN1GRIN2A

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-2429998-B1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-11-27 EP disclosed
WO-2010130943-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed