SCHEMBL19903036

SCHEMBL19903036

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

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.48
HCRTR1 O43613 19/20 0.48

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
SCHEMBL19903070 0.89 HCRTR2 (0.52) HCRTR2HCRTR1
SCHEMBL19903012 0.88 HCRTR2 (0.52) HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL19893858 0.87 HCRTR2 (0.51) HCRTR2HCRTR1
SCHEMBL19903014 0.86 HCRTR1 (0.56) HCRTR2HCRTR1
SCHEMBL19894043 0.86 HCRTR2 (0.52) HCRTR2HCRTR1
SCHEMBL19903109 0.86 HCRTR2 (0.48) HCRTR2HCRTR1
SCHEMBL20212718 0.84 HCRTR1 (0.50) HCRTR2HCRTR1
SCHEMBL19903018 0.83 HCRTR2 (0.52) HCRTR2HCRTR1
SCHEMBL19902991 0.83 HCRTR1 (0.47) HCRTR2HCRTR1
SCHEMBL19903039 0.83 HCRTR1 (0.50) 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
EP-3287454-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 EP disclosed