SCHEMBL19903014

SCHEMBL19903014

Cc1ccc(-n2nccn2)c(C(=O)N2CCON(c3cc(C)nc(C(F)(F)F)n3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.56
HCRTR2 O43614 20/20 0.56

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
SCHEMBL22383477 0.93 HCRTR2 (0.48) HCRTR1HCRTR2
SCHEMBL19903012 0.88 HCRTR2 (0.52) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL19893858 0.87 HCRTR2 (0.51) HCRTR1HCRTR2
SCHEMBL19903018 0.87 HCRTR2 (0.52) HCRTR1HCRTR2
SCHEMBL19903036 0.86 HCRTR2 (0.48) HCRTR1HCRTR2
SCHEMBL19903070 0.85 HCRTR2 (0.52) HCRTR1HCRTR2
SCHEMBL22383503 0.84 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL20212718 0.84 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL19894043 0.84 HCRTR2 (0.52) HCRTR1HCRTR2
SCHEMBL19903091 0.83 HCRTR2 (0.52) HCRTR1HCRTR2

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-3287454-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 EP disclosed