SCHEMBL628544

SCHEMBL628544

O=C(O)N1CCCC1c1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRCP P42785 10/20 0.47
HCRTR1 O43613 5/20 0.46
HCRTR2 O43614 5/20 0.46

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
SCHEMBL629480 0.90 PRCP (0.46) PRCPHCRTR1HCRTR2
SCHEMBL16927259 0.86 HCRTR1 (0.51) PRCPHCRTR1HCRTR2
SCHEMBL13125054 0.85 PRCP (0.45) PRCPHCRTR1HCRTR2
SCHEMBL13125075 0.85 PRCP (0.45) PRCPHCRTR1HCRTR2
SCHEMBL16499089 0.84 HCRTR1 (0.54) PRCPHCRTR1HCRTR2
SCHEMBL20539852 0.84 HCRTR1 (0.54) PRCPHCRTR1HCRTR2
SCHEMBL6123433 0.84 HCRTR1 (0.47) PRCPHCRTR1HCRTR2
SCHEMBL2512532 0.81 HTR2B (0.50) PRCPHCRTR1HCRTR2
SCHEMBL7274515 0.81 PRCP (0.53) PRCPHCRTR1HCRTR2
SCHEMBL16499547 0.80 HCRTR1 (0.51) PRCPHCRTR1HCRTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed