SCHEMBL23922796

SCHEMBL23922796

Cc1cc2n(n1)[C@@H](CO[C@H]1CC[C@@H](c3ccccc3)CC1)[C@@H](NS(C)(=O)=O)CC2

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.59

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
SCHEMBL23922795 1.00 HCRTR2 (0.59) HCRTR2
SCHEMBL24214593 1.00 HCRTR2 (0.59) HCRTR2
SCHEMBL23922992 0.89 HCRTR2 (0.57) HCRTR2
SCHEMBL23922993 0.89 HCRTR2 (0.57) HCRTR2
SCHEMBL24214265 0.89 HCRTR2 (0.57) HCRTR2
SCHEMBL22098748 0.84 HCRTR2 (0.41) HCRTR2
SCHEMBL24214621 0.83 HCRTR2 (0.59) HCRTR2
SCHEMBL23922816 0.83 HCRTR2 (0.59) HCRTR2
SCHEMBL23923177 0.80 HCRTR2 (0.58) HCRTR2
SCHEMBL24214636 0.80 HCRTR2 (0.58) HCRTR2

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
EP-3896060-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-10-20 EP disclosed