SCHEMBL20145095

SCHEMBL20145095

Cc1cc(OC2CCCN(C(=O)c3ncccc3-c3ncccn3)C2)ncc1Cl

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.51
HCRTR2 O43614 5/20 0.47
PDE2A O00408 1/20 0.42
RIPK1 Q13546 1/20 0.41
PROKR1 Q8TCW9 3/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SPR P35270 1/20 0.38

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
SCHEMBL20144870 0.85 HCRTR1 (0.66) HCRTR1HCRTR2RIPK1PROKR1
SCHEMBL20145036 0.85 HCRTR1 (0.66) HCRTR1HCRTR2RIPK1PROKR1
SCHEMBL20144793 0.81 HCRTR1 (0.51) HCRTR1HCRTR2RIPK1
SCHEMBL20144876 0.80 HCRTR1 (0.69) HCRTR1HCRTR2RIPK1PROKR1
SCHEMBL20144950 0.79 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL18697848 0.79 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL18697566 0.78 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL20145015 0.78 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL20145019 0.76 HCRTR1 (0.55) HCRTR1HCRTR2RIPK1
SCHEMBL20144790 0.74 HCRTR1 (0.53) 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-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 EP disclosed