SCHEMBL4700682

SCHEMBL4700682

CCCCc1nc2cc(C(=O)O)ccc2n1-c1cccc(N2CCN(C(C)OC)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
AGTR1 P30556 7/20 0.42
AGTR2 P50052 7/20 0.42
HSD17B10 Q99714 1/20 0.41
HPGD P15428 4/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 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
SCHEMBL4699188 0.92 THRB (0.42) THRBAGTR1AGTR2HSD17B10HPGD
SCHEMBL4703393 0.91 THRB (0.46) THRBHSD17B10HPGDSMN1; SMN2POLB
SCHEMBL4703169 0.91 THRB (0.46) THRBHSD17B10HPGDSMN1; SMN2POLB
SCHEMBL4703871 0.89 THRB (0.44) THRBHSD17B10HPGDSMN1; SMN2POLB
SCHEMBL4702086 0.89 THRB (0.47) THRBHSD17B10HPGDSMN1; SMN2
SCHEMBL4703176 0.87 THRB (0.44) THRBHSD17B10HPGDSMN1; SMN2POLB
SCHEMBL4701502 0.87 CRBN (0.46) THRBHSD17B10HPGDSMN1; SMN2
SCHEMBL4700632 0.86 THRB (0.43) THRBHSD17B10HPGDSMN1; SMN2POLB
SCHEMBL4702409 0.85 THRB (0.44) THRBHSD17B10HPGDSMN1; SMN2POLB
SCHEMBL4703388 0.83 THRB (0.48) THRBHSD17B10HPGDTP53SMN1; SMN2

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