SCHEMBL20145172

SCHEMBL20145172

CCOc1ccccc1C(=O)N1CCC[C@@H](NC2=NC=C(Br)C=CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.46
HCRTR1 O43613 4/20 0.46
NPSR1 Q6W5P4 3/20 0.44
TSHR P16473 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 4/20 0.43
NOD2 Q9HC29 1/20 0.43
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM5A P29375 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL20144919 0.80 HCRTR2 (0.67) HCRTR2HCRTR1NPSR1TSHRMEN1
SCHEMBL20145234 0.80 HCRTR2 (0.67) HCRTR2HCRTR1NPSR1TSHRMEN1
SCHEMBL20144784 0.76 HCRTR2 (0.69) HCRTR2HCRTR1LMNAHTTSMN1; SMN2
SCHEMBL18697642 0.76 HCRTR2 (0.69) HCRTR2HCRTR1LMNAHTTSMN1; SMN2
SCHEMBL20144897 0.76 HCRTR2 (0.68) HCRTR2HCRTR1NPSR1TSHRMEN1
SCHEMBL18551669 0.72 NPSR1 (0.58) HCRTR2HCRTR1NPSR1TSHRMEN1
SCHEMBL20231092 0.71 NPSR1 (0.57) HCRTR2HCRTR1NPSR1TSHRMEN1
SCHEMBL20144779 0.71 HCRTR2 (0.71) HCRTR2HCRTR1NPSR1TSHRLMNA
SCHEMBL17502633 0.70 NPSR1 (0.76) NPSR1TSHRMEN1KMT2ALMNA
SCHEMBL11715064 0.70 NPSR1 (0.81) NPSR1TSHRMEN1KMT2ALMNA

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