SCHEMBL20145088

SCHEMBL20145088

CCOc1ccc(C)nc1C(=O)N1CCCC(O)C1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.58
HCRTR1 O43613 10/20 0.58
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL20144974 0.77 HCRTR1 (0.70) HCRTR2HCRTR1KMT2A
SCHEMBL20145031 0.77 HCRTR2 (0.70) HCRTR2HCRTR1
SCHEMBL20144824 0.77 HCRTR2 (0.70) HCRTR2HCRTR1
SCHEMBL20144768 0.77 HCRTR1 (0.70) HCRTR2HCRTR1
SCHEMBL15631350 0.74 GUCY1B2 (0.51)
SCHEMBL20145268 0.73 HCRTR1 (0.45) HCRTR2HCRTR1
SCHEMBL13735649 0.73 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL5909199 0.73 ALDH1A1 (0.64) KMT2A
SCHEMBL6265337 0.73 ALDH1A1 (0.64) KMT2A
SCHEMBL263251 0.70 HCRTR2 (0.50) HCRTR2HCRTR1HPGD

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