SCHEMBL25164413

SCHEMBL25164413

Cc1ncc(C(F)(F)F)nc1N1CCC2(CCN(c3cnc4cnn(CC(F)F)c4n3)CC2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 20/20 0.36
▸ HCRTR1 O43613 15/20 0.36

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
SCHEMBL30328712 1.00 HCRTR2 (0.36) HCRTR2HCRTR1
SCHEMBL25164757 0.86 HCRTR2 (0.37) HCRTR2HCRTR1
SCHEMBL30328407 0.86 HCRTR2 (0.37) HCRTR2HCRTR1
SCHEMBL30328364 0.85 HCRTR2 (0.36) HCRTR2HCRTR1
SCHEMBL25164944 0.85 HCRTR2 (0.36) HCRTR2HCRTR1
SCHEMBL25163845 0.85 HCRTR2 (0.36) HCRTR2HCRTR1
SCHEMBL30328835 0.85 HCRTR2 (0.39) HCRTR2HCRTR1
SCHEMBL25164755 0.85 HCRTR2 (0.39) HCRTR2HCRTR1
SCHEMBL25163497 0.85 HCRTR2 (0.36) HCRTR2HCRTR1
SCHEMBL30329238 0.85 HCRTR2 (0.36) 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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