SCHEMBL29560367

SCHEMBL29560367

Cc1ccc(-c2ncccn2)c(C(=O)N2CC(F)(F)C[C@@H](C)[C@H]2CNc2ccc(C(F)(F)F)cn2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 1.00
HCRTR2 O43614 4/20 0.77

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
SCHEMBL24381155 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19207015 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256654 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256189 0.92 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL19256190 0.92 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL24381190 0.92 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL24381358 0.87 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL19206994 0.87 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL24381244 0.87 HCRTR1 (0.78) HCRTR1HCRTR2
SCHEMBL19256874 0.87 HCRTR1 (0.78) 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