SCHEMBL25164553

SCHEMBL25164553

O=C1N(Cc2cnc(C(F)(F)F)cn2)CCC12CCN(c1cnc3cnn(CC(F)F)c3n1)CC2

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 20/20 0.45
▸ HCRTR1 O43613 13/20 0.43

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
SCHEMBL30327799 1.00 HCRTR2 (0.45) HCRTR2HCRTR1
SCHEMBL25164060 0.89 HCRTR2 (0.49) HCRTR2HCRTR1
SCHEMBL30329300 0.89 HCRTR2 (0.49) HCRTR2HCRTR1
SCHEMBL30329359 0.88 HCRTR2 (0.51) HCRTR2HCRTR1
SCHEMBL25164132 0.88 HCRTR2 (0.51) HCRTR2HCRTR1
SCHEMBL25163993 0.88 HCRTR2 (0.50) HCRTR2HCRTR1
SCHEMBL30327895 0.88 HCRTR2 (0.50) HCRTR2HCRTR1
SCHEMBL25165014 0.86 HCRTR2 (0.33) HCRTR2HCRTR1
SCHEMBL30329562 0.86 HCRTR2 (0.33) HCRTR2HCRTR1
SCHEMBL25164058 0.85 HCRTR2 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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