SCHEMBL19207136

SCHEMBL19207136

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
LIPE Q05469 3/20 0.38
GABRA5 P31644 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 3/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNA7 P36544 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL9895811 0.73 LIPE (0.41) HPGDLIPEGABRA5MAPK1HCRTR1
SCHEMBL19256719 0.73 HCRTR1 (0.44) HPGDLIPEGABRA5KMT2AMAPK1
SCHEMBL29560752 0.73 HCRTR1 (0.44) HPGDLIPEGABRA5KMT2AMAPK1
SCHEMBL19207168 0.73 HCRTR1 (0.44) HPGDLIPEGABRA5KMT2AMAPK1
SCHEMBL19256718 0.73 HCRTR1 (0.44) HPGDLIPEGABRA5KMT2AMAPK1
Hydrochloric Acid SCHEMBL29912861 0.69 GABRA5 (0.41) HPGDLIPEGABRA5KMT2AMAPK1
Hydrochloric Acid SCHEMBL27158684 0.69 GABRA5 (0.41) HPGDLIPEGABRA5KMT2AMAPK1
Hydrochloric Acid SCHEMBL27158683 0.69 GABRA5 (0.41) HPGDLIPEGABRA5KMT2AMAPK1
SCHEMBL10121582 0.69 HPGD (0.38) HPGDLIPEGABRA5KMT2AMAPK1
SCHEMBL22761804 0.69 LTA4H (0.57)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414241-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2018-12-19 EP disclosed
WO-2017139603-A1 HALO-SUBSTITUTED PIPERIDINES AS OREXIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2017-08-17 WO disclosed