SCHEMBL20144823

SCHEMBL20144823

O=C(c1ncccc1-n1nccn1)N1CCCC(Nc2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.68
HCRTR2 O43614 9/20 0.68

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
SCHEMBL20144850 0.88 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL18697635 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144759 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145056 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144804 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144954 0.85 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL20145135 0.84 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL20144778 0.82 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL18697753 0.82 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144819 0.82 HCRTR1 (0.69) HCRTR1HCRTR2

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