SCHEMBL23557973

SCHEMBL23557973

O=C(Cn1cnc2c(Cl)nccc21)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ GRIN2B Q13224 10/20 0.46
▸ POLB P06746 1/20 0.44
▸ GRIN1 Q05586 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL23557979 0.97 GRIN2B (0.46) MAPTPTGS2GRIN2BPOLBGRIN1
SCHEMBL23531695 0.80 EGLN1 (0.48) PTGS2POLBALDH1A1
SCHEMBL21603319 0.79 GRIN2B (0.48) GRIN2B
SCHEMBL21603316 0.76 GRIN2B (0.50) GRIN2B
SCHEMBL29825072 0.76 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL23531724 0.76 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL30015306 0.73 FPR2 (0.43) POLBALDH1A1KMT2A
SCHEMBL23558005 0.73 FPR2 (0.43) POLBALDH1A1KMT2A
SCHEMBL23557976 0.73 GRIN2B (0.43) GRIN2BGRIN1ALDH1A1KMT2A
SCHEMBL15416672 0.72 LMNA (0.67) PTGS2GRIN2BALDH1A1GAACYP2C9

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-2021123294-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 — — WO disclosed
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