SCHEMBL4703386

SCHEMBL4703386

COCCc1nc2cc(C(=O)O)ccc2n1-c1cccc(C2CCN(CCOC)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.47
GLP1R P43220 6/20 0.46
THRB P10828 1/20 0.46
PTGER4 P35408 5/20 0.45
HPGD P15428 1/20 0.42
HCAR3 P49019 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL5782346 0.93 THRB (0.47) MCHR1GLP1RTHRBPTGER4HPGD
SCHEMBL5778385 0.90 THRB (0.46) MCHR1GLP1RTHRBPTGER4HPGD
SCHEMBL4703387 0.87 THRB (0.44) MCHR1GLP1RTHRBPTGER4HPGD
SCHEMBL4703168 0.87 THRB (0.48) GLP1RTHRBPTGER4HPGDHCAR3
SCHEMBL5815980 0.84 LMNA (0.45) MCHR1THRBPTGER4HPGDHCAR3
SCHEMBL4703390 0.82 THRB (0.46) GLP1RTHRBPTGER4HPGDHCAR3
SCHEMBL4703129 0.81 FGFR1 (0.53) THRBHPGD
SCHEMBL4702408 0.81 THRB (0.44) THRBPTGER4HPGDHCAR3HSD17B10
SCHEMBL5777980 0.81 THRB (0.49) THRBPTGER4HPGDHCAR3HSD17B10
SCHEMBL2649188 0.80 MCHR1 (0.53) MCHR1

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-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP claimed