SCHEMBL29560752

SCHEMBL29560752

C[C@@H]1CC(F)(F)CN[C@@H]1COc1ccc(C(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.44
HPGD P15428 1/20 0.38
LIPE Q05469 1/20 0.37
GABRA5 P31644 1/20 0.36
HSD11B1 P28845 3/20 0.36
HSD11B2 P80365 3/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL19207168 1.00 HCRTR1 (0.44) HCRTR1HPGDLIPEGABRA5HSD11B1
SCHEMBL19256718 1.00 HCRTR1 (0.44) HCRTR1HPGDLIPEGABRA5HSD11B1
SCHEMBL19256719 1.00 HCRTR1 (0.44) HCRTR1HPGDLIPEGABRA5HSD11B1
SCHEMBL19256479 0.79 HCRTR1 (0.45) HCRTR1
SCHEMBL19256197 0.79 HCRTR1 (0.45) HCRTR1
SCHEMBL24381177 0.79 HCRTR1 (0.45) HCRTR1
SCHEMBL19256198 0.79 HCRTR1 (0.45) HCRTR1
Bromide SCHEMBL19207102 0.78 HCRTR1 (0.45) HCRTR1
Bromide SCHEMBL29560199 0.78 HCRTR1 (0.45) HCRTR1
SCHEMBL24381545 0.76 HCRTR1 (0.59) HCRTR1

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