SCHEMBL20144743

SCHEMBL20144743

O=C(c1ccccc1-n1nccn1)N1CCCC(Nc2ccc(C(F)(F)F)nn2)C1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.67
HCRTR1 O43613 15/20 0.67

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
SCHEMBL18697691 1.00 HCRTR2 (0.67) HCRTR2HCRTR1
SCHEMBL20145224 0.86 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL20144812 0.86 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL20144850 0.85 HCRTR1 (0.67) HCRTR2HCRTR1
SCHEMBL18697747 0.83 HCRTR2 (0.63) HCRTR2HCRTR1
SCHEMBL20144843 0.83 HCRTR2 (0.63) HCRTR2HCRTR1
SCHEMBL18697692 0.82 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL20144827 0.82 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL20144896 0.81 HCRTR1 (0.67) HCRTR2HCRTR1
SCHEMBL18697746 0.81 HCRTR1 (0.67) 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