SCHEMBL20144940

SCHEMBL20144940

Cc1cnc(-c2ncccn2)c(C(=O)N2CCCC(Oc3ccc(Cl)cn3)C2)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.69
HCRTR2 O43614 7/20 0.43
PROKR1 Q8TCW9 2/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL18697845 1.00 HCRTR1 (0.69) HCRTR1HCRTR2PROKR1LMNAMEN1
SCHEMBL20144792 0.90 HCRTR1 (0.55) HCRTR1HCRTR2PROKR1
SCHEMBL20145099 0.90 HCRTR1 (0.55) HCRTR1HCRTR2PROKR1
SCHEMBL20145062 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697838 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144876 0.86 HCRTR1 (0.69) HCRTR1HCRTR2PROKR1
SCHEMBL20145259 0.85 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144787 0.85 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL18697568 0.83 HCRTR1 (0.53) HCRTR1HCRTR2PROKR1
SCHEMBL20144994 0.83 HCRTR1 (0.53) HCRTR1HCRTR2PROKR1

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