SCHEMBL4703387

SCHEMBL4703387

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
HPGD P15428 4/20 0.41
PTGER4 P35408 4/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.39
HCAR3 P49019 1/20 0.39
MCHR1 Q99705 3/20 0.39
GLP1R P43220 2/20 0.39
TP53 P04637 1/20 0.38
PPARG P37231 1/20 0.37

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 0.89 THRB (0.47) THRBHPGDPTGER4HSD17B10KMT2A
SCHEMBL5778385 0.87 THRB (0.46) THRBHPGDPTGER4HSD17B10KMT2A
SCHEMBL4703386 0.87 MCHR1 (0.47) THRBHPGDPTGER4HSD17B10HCAR3
SCHEMBL4703169 0.87 THRB (0.46) THRBHPGDPTGER4HSD17B10KMT2A
SCHEMBL4703384 0.85 THRB (0.46) THRBHPGDPTGER4HSD17B10HCAR3
SCHEMBL5815980 0.81 LMNA (0.45) THRBHPGDPTGER4HSD17B10HCAR3
SCHEMBL4702409 0.80 THRB (0.44) THRBHPGDPTGER4HSD17B10KMT2A
SCHEMBL4703393 0.80 THRB (0.46) THRBHPGDPTGER4HSD17B10KMT2A
SCHEMBL4703128 0.78 FGFR1 (0.54) THRBHPGDTP53
SCHEMBL4700682 0.78 THRB (0.45) THRBHPGDHSD17B10TP53

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