SCHEMBL6934731

SCHEMBL6934731

Cc1c(C2CC2)nc2c(N3CCOCC3)nccn12

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.57
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL14322616 0.85 GRIA1 (0.57) GRIA1SLC6A3
SCHEMBL16920992 0.82 PDE10A (0.55)
SCHEMBL16283463 0.79 PDE10A (0.44)
SCHEMBL2482152 0.76 GRIA1 (0.67) GRIA1
SCHEMBL14685172 0.76 PDE10A (0.40) GRIA1
SCHEMBL2482640 0.76 GRIA1 (0.63) GRIA1
SCHEMBL6937905 0.76 GRIA1 (0.66) GRIA1
SCHEMBL30366310 0.75 GRIA1 (0.51) GRIA1
SCHEMBL2482568 0.75 GRIA1 (0.65) GRIA1
SCHEMBL6934688 0.75 PDE10A (0.53)

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-2011110545-A1 IMIDAZO [1, 2 -A] PYRAZINE DERIVATIVES AND THEIR USE FOR THE PREVENTION OR TREATMENT OF NEUROLOGICAL, PSYCHIATRIC AND METABOLIC DISORDERS AND DISEASES JANSSEN PHARMACEUTICA NV (BE) 2011-09-15 WO disclosed