SCHEMBL21279876

SCHEMBL21279876

Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NC(=O)OCC(F)(F)F)cc2nc1N1CCC(N)C1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
CHRM3 P20309 2/20 0.32

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
SCHEMBL15317092 1.00 HCRTR1 (0.32) HCRTR1HCRTR2CHRM3
SCHEMBL17523422 0.93 ALDH1A1 (0.34) HCRTR1HCRTR2
SCHEMBL21279761 0.93 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL17521705 0.92 CHRM3 (0.33) HCRTR1HCRTR2CHRM3
SCHEMBL15316950 0.92 HRH4 (0.34) HCRTR1HCRTR2
SCHEMBL2737846 0.91 MAPT (0.35) HCRTR1HCRTR2
SCHEMBL2738187 0.89 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL2738171 0.88 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL21279471 0.87 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL15317095 0.87 HCRTR1 (0.33) 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-2838900-B1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-08-21 EP disclosed