SCHEMBL20144887

SCHEMBL20144887

CCOc1ccccc1C(=O)N1CCCC(Nc2ccc(Br)cn2)C1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 15/20 1.00
HCRTR1 O43613 10/20 1.00
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL16078132 1.00 HCRTR2 (1.00) HCRTR2HCRTR1MEN1TSHRKMT2A
SCHEMBL16032973 1.00 HCRTR2 (1.00) HCRTR2HCRTR1MEN1TSHRKMT2A
SCHEMBL16032435 1.00 HCRTR2 (1.00) HCRTR2HCRTR1MEN1TSHRKMT2A
SCHEMBL20145060 0.91 HCRTR2 (0.83) HCRTR2HCRTR1
SCHEMBL16031595 0.86 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL16030579 0.86 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL16148647 0.86 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL16078133 0.86 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL16030577 0.86 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL16031146 0.84 HCRTR2 (1.00) HCRTR2HCRTR1MEN1TSHRKMT2A

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