SCHEMBL8105886

SCHEMBL8105886

O=C(c1ccc2nonc2c1)N1CCCC2CC(O)CC21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA3 P42263 1/20 0.52
GRIA4 P48058 1/20 0.52
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HSD11B1 P28845 14/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B1 P14061 1/20 0.39
EPHX2 P34913 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
SCHEMBL8107156 0.87 GRIA3 (0.58) GRIA3GRIA4HSD11B1TAS1R3TAS1R1
SCHEMBL7884908 0.84 GRIA3 (0.54) GRIA3GRIA4HSD11B1TAS1R3TAS1R1
SCHEMBL8105521 0.82 GRIA3 (0.59) GRIA3GRIA4HSD11B1TAS1R3TAS1R1
SCHEMBL8114056 0.80 GRIA3 (0.50) GRIA3GRIA4HSD11B1TAS1R3TAS1R1
SCHEMBL8107107 0.78 GRIA3 (0.56) GRIA3GRIA4HSD11B1TAS1R3TAS1R1
SCHEMBL8107984 0.76 GRIA3 (0.56) GRIA3GRIA4HSD11B1TAS1R3TAS1R1
SCHEMBL8114060 0.76 GRIA3 (0.50) GRIA3GRIA4HSD11B1TAS1R3TAS1R1
SCHEMBL8108606 0.75 GRIA3 (0.55) GRIA3GRIA4HSD11B1TAS1R3TAS1R1
SCHEMBL548631 0.74 GRIA3 (0.53) GRIA3GRIA4TAS1R3TAS1R1TAS1R2
SCHEMBL5759402 0.74 GRIA3 (0.72) GRIA3GRIA4TAS1R3TAS1R1TAS1R2

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-2233140-A1 Bicyclic amides for enhancing glutamatergic synaptic responses Biovail Laboratories International SRL (BB) 2010-09-29 EP disclosed
WO-2009023126-A2 BICYCLIC AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2009-02-19 WO disclosed