SCHEMBL23922993

SCHEMBL23922993

CCc1cc2n(n1)[C@@H](CO[C@H]1CC[C@@H](c3ccccc3)CC1)[C@@H](NS(C)(=O)=O)CC2

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.57

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
SCHEMBL24214265 1.00 HCRTR2 (0.57) HCRTR2
SCHEMBL23922992 1.00 HCRTR2 (0.57) HCRTR2
SCHEMBL23922795 0.89 HCRTR2 (0.59) HCRTR2
SCHEMBL24214593 0.89 HCRTR2 (0.59) HCRTR2
SCHEMBL23922796 0.89 HCRTR2 (0.59) HCRTR2
SCHEMBL23922904 0.86 HCRTR2 (0.55) HCRTR2
SCHEMBL24214631 0.86 HCRTR2 (0.55) HCRTR2
Hydrochloric Acid SCHEMBL23923199 0.84 HCRTR2 (0.40) HCRTR2
SCHEMBL23923200 0.82 HCRTR2 (0.46) HCRTR2
SCHEMBL23922958 0.81 HCRTR2 (0.56) 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