SCHEMBL19903116

SCHEMBL19903116

O=C(c1ccccc1-n1nccn1)N1CCON(c2cc(C(F)F)nc(C3CC3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 20/20 0.42
▸ HCRTR1 O43613 17/20 0.42

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
SCHEMBL19902993 0.86 HCRTR2 (0.51) HCRTR2HCRTR1
SCHEMBL19893973 0.86 HCRTR2 (0.46) HCRTR2HCRTR1
SCHEMBL19903121 0.84 HCRTR1 (0.47) HCRTR2HCRTR1
SCHEMBL22383531 0.78 HCRTR2 (0.43) HCRTR2HCRTR1
SCHEMBL19903109 0.78 HCRTR2 (0.48) HCRTR2HCRTR1
SCHEMBL19893856 0.77 HCRTR1 (0.62) HCRTR2HCRTR1
SCHEMBL19894149 0.76 HCRTR2 (0.44) HCRTR2HCRTR1
SCHEMBL19893970 0.75 HCRTR1 (0.51) HCRTR2HCRTR1
SCHEMBL22383503 0.74 HCRTR1 (0.57) HCRTR2HCRTR1
SCHEMBL22383510 0.74 HCRTR2 (0.62) 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
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