SCHEMBL17220105

SCHEMBL17220105

CC(C)(C)C1CCC(c2nc3cc(C=O)ccc3[nH]2)N1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.35
HCRTR1 O43613 9/20 0.34
HCRTR2 O43614 9/20 0.34

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
SCHEMBL2276747 0.75 BCHE (0.41) HCRTR1HCRTR2
SCHEMBL628227 0.74 PRCP (0.44) PRCPHCRTR1HCRTR2
SCHEMBL628226 0.74 PRCP (0.44) PRCPHCRTR1HCRTR2
SCHEMBL2476920 0.73
SCHEMBL16894012 0.67 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL13275995 0.67
SCHEMBL2283562 0.67
SCHEMBL1647836 0.65 HCRTR1 (0.47) PRCPHCRTR1HCRTR2
SCHEMBL19364771 0.65 HCRTR1 (0.43) PRCPHCRTR1HCRTR2
SCHEMBL1299148 0.64 MPO (0.41) 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-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed