SCHEMBL20633129

SCHEMBL20633129

C=C(Nc1c(C(C)C)cccc1C(C)C)N1CCCCN(C)c2ccc(-c3cccc(C(C)(F)F)c3)nc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GRIN1 Q05586 4/20 0.32
▸ GRIN2B Q13224 4/20 0.32
▸ TRPV3 Q8NET8 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
SCHEMBL20633402 0.83 CREBBP (0.32) GRIN1GRIN2B
SCHEMBL20632810 0.83 PHGDH (0.38) GRIN1GRIN2B
SCHEMBL20632375 0.82 GRIN1 (0.37) GRIN1GRIN2B
SCHEMBL20631424 0.82 GRIN1 (0.34) MEN1KMT2AGRIN1GRIN2B
SCHEMBL20632431 0.82 GRIN1 (0.31) GRIN1GRIN2B
SCHEMBL20632750 0.82 GRIN1 (0.37) GRIN1GRIN2B
SCHEMBL20633137 0.81 GRIN1 (0.34) GRIN1GRIN2B
SCHEMBL20632238 0.81 GRIN1 (0.34) GRIN1GRIN2B
SCHEMBL20632711 0.79 KDM1A (0.34) TDP1GRIN1GRIN2B
SCHEMBL20632939 0.79 GRIN1 (0.41) TDP1GRIN1GRIN2B

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-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
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