SCHEMBL30328728

SCHEMBL30328728

Cc1cnc(C(F)(F)F)nc1N1CC2(CCN(c3cnc4cnn(CC(F)F)c4n3)C2)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.31
▸ GRIN2B Q13224 2/20 0.31

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
SCHEMBL25163674 1.00 CNR2 (0.31) CNR2GRIN2B
SCHEMBL25164665 0.89 CNR2 (0.31) CNR2GRIN2B
SCHEMBL30328156 0.89 CNR2 (0.31) CNR2GRIN2B
SCHEMBL30328016 0.88 GRIN2B (0.31) GRIN2B
SCHEMBL25164745 0.88 GRIN2B (0.31) GRIN2B
SCHEMBL25164040 0.86 GRIN2B (0.32) GRIN2B
SCHEMBL30328896 0.86 GRIN2B (0.32) GRIN2B
SCHEMBL25164772 0.86 CYP11B1 (0.32) —
SCHEMBL25164195 0.86 MEN1 (0.33) GRIN2B
SCHEMBL30328319 0.86 MEN1 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 — — EP disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 — — WO disclosed
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