SCHEMBL23655190

SCHEMBL23655190

CC1(C)c2cc(-c3ccc(-c4ccccc4C(/N=C(\N)c4ccccc4)=N/Cc4ccccc4)cc3)ccc2-c2cccc(C#N)c21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 10/20 0.39
▸ GRIN1 Q05586 2/20 0.35
▸ PDK2 Q15119 2/20 0.31
▸ ADORA1 P30542 1/20 0.30
▸ NOS2 P35228 1/20 0.30

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
SCHEMBL20405021 0.92 GRIN2B (0.36) GRIN2BGRIN1PDK2ADORA1
SCHEMBL20404891 0.89 GRIN2B (0.43) GRIN2BGRIN1PDK2NOS2
SCHEMBL20407205 0.88 GRIN2B (0.34) GRIN2BGRIN1ADORA1
SCHEMBL20407166 0.88 GRIN2B (0.35) GRIN2BGRIN1
SCHEMBL20407134 0.86 GRIN2B (0.34) GRIN2BGRIN1PDK2
SCHEMBL21159663 0.81 GRIN2B (0.34) GRIN2BGRIN1PDK2
SCHEMBL20405557 0.81 GRIN2B (0.41) GRIN2BGRIN1PDK2NOS2
SCHEMBL20407244 0.79 GRIN2B (0.34) GRIN2BGRIN1ADORA1
SCHEMBL23464231 0.79 GRIN2B (0.41) GRIN2BGRIN1PDK2NOS2
SCHEMBL20405057 0.77 GRIN2B (0.36) GRIN2BGRIN1

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-3351536-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2021-07-21 — — EP disclosed
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