SCHEMBL24381069

SCHEMBL24381069

C[C@@H]1CC(F)(F)CN(C)[C@@H]1CNc1ccc(C(F)(F)F)cn1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.59
HCRTR2 O43614 4/20 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
SCHEMBL19256064 1.00 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL24381125 1.00 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL24381189 0.86 HCRTR1 (0.59) HCRTR1
SCHEMBL24381024 0.86 HCRTR1 (0.59) HCRTR1
SCHEMBL24381126 0.86 HCRTR1 (0.59) HCRTR1
SCHEMBL28650805 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL19207080 0.84 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL24380961 0.83 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL24380992 0.83 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL24380988 0.83 HCRTR1 (0.58) 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-3414241-B1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2022-05-04 EP disclosed