SCHEMBL25164755

SCHEMBL25164755

Cc1cc(C(F)(F)F)cnc1N1CCC2(CCN(c3cnc4cnn(CC(F)F)c4n3)CC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 19/20 0.39
▸ HCRTR1 O43613 13/20 0.39
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL30328835 1.00 HCRTR2 (0.39) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL25163634 0.93 HCRTR2 (0.40) HCRTR2HCRTR1
SCHEMBL30329493 0.93 HCRTR2 (0.40) HCRTR2HCRTR1
SCHEMBL30328809 0.91 HCRTR2 (0.40) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL25164843 0.91 HCRTR2 (0.40) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL25163497 0.87 HCRTR2 (0.36) HCRTR2HCRTR1
SCHEMBL30328252 0.86 HCRTR2 (0.40) HCRTR2HCRTR1
SCHEMBL25164696 0.86 HCRTR2 (0.40) HCRTR2HCRTR1
SCHEMBL25164719 0.86 HCRTR2 (0.44) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL30328942 0.86 HCRTR2 (0.44) HCRTR2HCRTR1MEN1KMT2A

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
Send feedback