SCHEMBL5778385

SCHEMBL5778385

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
MCHR1 Q99705 4/20 0.43
HPGD P15428 4/20 0.42
MGLL Q99685 1/20 0.42
PTGER4 P35408 3/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 1/20 0.41
GLP1R P43220 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
LIPE Q05469 1/20 0.39
TP53 P04637 1/20 0.39

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 0.91 THRB (0.47) THRBMCHR1HPGDPTGER4HSD17B10
SCHEMBL4703386 0.90 MCHR1 (0.47) THRBMCHR1HPGDPTGER4HSD17B10
SCHEMBL4703387 0.87 THRB (0.44) THRBMCHR1HPGDPTGER4HSD17B10
SCHEMBL5781887 0.87 THRB (0.48) THRBHPGDPTGER4HSD17B10KMT2A
SCHEMBL5815980 0.83 LMNA (0.45) THRBMCHR1HPGDPTGER4HSD17B10
SCHEMBL5778383 0.82 THRB (0.46) THRBHPGDMGLLHSD17B10HTR1A
SCHEMBL5777980 0.79 THRB (0.49) THRBHPGDPTGER4HSD17B10KMT2A
SCHEMBL5782596 0.79 THRB (0.48) THRBHPGDPTGER4HSD17B10KMT2A
SCHEMBL4703168 0.78 THRB (0.48) THRBHPGDPTGER4HSD17B10KMT2A
SCHEMBL5781185 0.78 THRB (0.48) THRBHPGDPTGER4HSD17B10KMT2A

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-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP claimed