SCHEMBL20144748

SCHEMBL20144748

COc1c(F)cccc1C(=O)N1CCCC(Nc2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.69
HCRTR1 O43613 8/20 0.65
PDE2A O00408 1/20 0.49
KMT2A Q03164 1/20 0.48
OPRK1 P41145 1/20 0.47

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
SCHEMBL18697634 1.00 HCRTR2 (0.69) HCRTR2HCRTR1PDE2AKMT2AOPRK1
SCHEMBL20144883 0.88 HCRTR2 (0.68) HCRTR2HCRTR1PDE2AOPRK1
SCHEMBL20144764 0.84 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL18697644 0.84 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL20144958 0.82 HCRTR2 (0.69) HCRTR2HCRTR1PDE2A
SCHEMBL18697565 0.82 HCRTR2 (0.69) HCRTR2HCRTR1PDE2A
SCHEMBL16030662 0.82 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16031575 0.82 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16149261 0.82 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16030664 0.82 HCRTR2 (1.00) HCRTR2HCRTR1

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