SCHEMBL10001645

SCHEMBL10001645

O=C(c1ccc2nonc2c1)N1C2COCC23COCC13

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA3 P42263 1/20 0.52
GRIA4 P48058 1/20 0.52
EPHX2 P34913 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NAMPT P43490 1/20 0.35
ENPP2 Q13822 2/20 0.35
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL10001644 0.92 GRIA3 (0.47) GRIA3GRIA4EPHX2TAS1R3TAS1R1
SCHEMBL10001647 0.90 GRIA3 (0.48) GRIA3GRIA4EPHX2TAS1R3TAS1R1
SCHEMBL638015 0.81 GRIA3 (0.57) GRIA3GRIA4EPHX2TAS1R3TAS1R1
SCHEMBL637281 0.78 GRIA3 (0.55) GRIA3GRIA4EPHX2TAS1R3TAS1R1
SCHEMBL10032960 0.77 GRIA3 (0.60) GRIA3GRIA4EPHX2TAS1R3TAS1R1
SCHEMBL637584 0.76 GRIA3 (0.56) GRIA3GRIA4EPHX2TAS1R3TAS1R1
SCHEMBL548676 0.74 GRIA3 (0.59) GRIA3GRIA4EPHX2TAS1R3TAS1R1
SCHEMBL548639 0.73 GRIA3 (0.51) GRIA3GRIA4EPHX2TAS1R3TAS1R1
SCHEMBL548619 0.72 GRIA3 (0.53) GRIA3GRIA4EPHX2TAS1R3TAS1R1
SCHEMBL548631 0.72 GRIA3 (0.53) GRIA3GRIA4EPHX2TAS1R3TAS1R1

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
US-8119632-B2 Bicyclic amide derivatives for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed