SCHEMBL20144779

SCHEMBL20144779

CCOc1ccccc1C(=O)N1CCCC(Nc2nc3cc(Cl)ccc3o2)C1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 7/20 0.71
HCRTR1 O43613 5/20 0.71
SSTR5 P35346 9/20 0.52
LMNA P02545 2/20 0.50
SSTR1 P30872 1/20 0.49
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HRH1 P35367 2/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.45
CCNK O75909 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
MNAT1 P51948 1/20 0.45
CDK12 Q9NYV4 1/20 0.45

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
SCHEMBL4243120 0.89 HCRTR2 (0.60) HCRTR2HCRTR1SSTR5LMNASSTR1
SCHEMBL4243123 0.89 HCRTR2 (0.60) HCRTR2HCRTR1SSTR5LMNASSTR1
SCHEMBL16030743 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16031766 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16030745 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16078143 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL20144735 0.82 HCRTR1 (0.69) HCRTR2HCRTR1
SCHEMBL20144811 0.82 HCRTR2 (0.72) HCRTR2HCRTR1SSTR5
SCHEMBL4247200 0.79 SSTR5 (0.57) HCRTR2HCRTR1SSTR5SSTR1HRH1
SCHEMBL4247207 0.79 SSTR5 (0.57) HCRTR2HCRTR1SSTR5SSTR1HRH1

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