SCHEMBL2595906

SCHEMBL2595906

Brc1ccc(C2CCNCC2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PLG P00747 3/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
USP7 Q93009 2/20 0.41
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL16446405 0.76 CHRM2 (0.53) BCHEACHEPLGGABRA1GABRG2
SCHEMBL10902517 0.67 BCHE (0.65) BCHEACHEMAOAMAOBPLG
SCHEMBL8372303 0.65 CHRM5 (0.52) BCHEACHEPLGGABRA1GABRG2
SCHEMBL22731089 0.64 BCHE (0.42) BCHEACHEPLGGABRA1GABRG2
SCHEMBL181015 0.64 SLC18A3 (0.61) MAOAMAOBSLC18A3SIGMAR1MAPT
SCHEMBL721717 0.63 ACHE (1.00) BCHEACHEMAOAMAOBSLC18A3
SCHEMBL23127814 0.63 S1PR1 (0.46) MAOAMAOBALDH1A1CHRM2CHRM4
SCHEMBL5585087 0.63 BCHE (0.49) BCHEACHEMAOAMAOBPLG
SCHEMBL5584863 0.63 BCHE (0.49) BCHEACHEMAOAMAOBPLG
Iodide SCHEMBL16799291 0.63 SLC18A3 (0.59) MAOAMAOBSLC18A3SIGMAR1MAPT

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-2566862-A1 BENZOFURANYL ANALOGUES AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 EP disclosed
WO-2011140161-A1 BENZOFURANYL ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 WO disclosed