SCHEMBL30327684

SCHEMBL30327684

O=C1N(c2cccc(C(F)(F)F)n2)CCC12CCN(c1cnc3cnn(CC(F)F)c3n1)CC2

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 20/20 0.40
▸ HCRTR1 O43613 18/20 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
SCHEMBL25164024 1.00 HCRTR2 (0.40) HCRTR2HCRTR1
SCHEMBL25164426 0.97 HCRTR2 (0.39) HCRTR2HCRTR1
SCHEMBL30328559 0.97 HCRTR2 (0.39) HCRTR2HCRTR1
SCHEMBL30328602 0.95 HCRTR2 (0.36) HCRTR2HCRTR1
SCHEMBL25164035 0.95 HCRTR2 (0.36) HCRTR2HCRTR1
SCHEMBL25164424 0.91 HCRTR2 (0.38) HCRTR2HCRTR1
SCHEMBL30327873 0.91 HCRTR2 (0.38) HCRTR2HCRTR1
SCHEMBL25164946 0.89 HCRTR2 (0.37) HCRTR2HCRTR1
SCHEMBL30328522 0.89 HCRTR2 (0.37) HCRTR2HCRTR1
SCHEMBL25164757 0.89 HCRTR2 (0.37) HCRTR2HCRTR1

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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