SCHEMBL9854786

SCHEMBL9854786

c1ncc2[nH]c(C3CCO3)nc2n1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 20/20 0.49

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
SCHEMBL2388904 0.93 GRIN2B (0.47) GRIN2B
SCHEMBL2002532 0.91 GRIN2B (0.46) GRIN2B
SCHEMBL18167359 0.84 GRIN2B (0.45) GRIN2B
SCHEMBL1378380 0.83 GRIN2B (0.43) GRIN2B
SCHEMBL19553769 0.80 METAP2 (0.43) GRIN2B
SCHEMBL1375990 0.78 METAP2 (0.41) GRIN2B
SCHEMBL2951836 0.78 NPC1 (0.41) GRIN2B
SCHEMBL10600439 0.76 NPC1 (0.43) GRIN2B
SCHEMBL12921851 0.75 PARP1 (0.49) GRIN2B
SCHEMBL4373720 0.73 PARP1 (0.43) GRIN2B

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
EP-0433898-A2 Analogs of oxetanyl purines and pyrimidines ABBOTT LABORATORIES (US) 1991-06-26 EP disclosed