SCHEMBL5780883

SCHEMBL5780883

CCN(CC)C(=O)CN1CCN(c2cccc(-n3c(CCOC)nc4cc(C(=O)O)ccc43)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
HPGD P15428 5/20 0.41
KDM4E B2RXH2 2/20 0.39
MDM2 Q00987 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RY12 Q9H244 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PTGER4 P35408 3/20 0.37
SCN9A Q15858 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL5778720 0.91 KDM4E (0.41) THRBHPGDKDM4EMDM2HSD17B10
SCHEMBL5779114 0.90 THRB (0.47) THRBHPGDHSD17B10KMT2AALDH1A1
SCHEMBL5781185 0.89 THRB (0.48) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL5783864 0.88 THRB (0.46) THRBHPGDHSD17B10KMT2AALDH1A1
SCHEMBL5783447 0.88 HPGD (0.46) THRBHPGDHSD17B10KMT2AALDH1A1
SCHEMBL4703168 0.87 THRB (0.48) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL4702408 0.87 THRB (0.44) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL5783074 0.86 THRB (0.45) THRBHPGDKDM4EHSD17B10KMT2A
SCHEMBL5777910 0.85 THRB (0.43) THRBHPGDHSD17B10KMT2AALDH1A1
SCHEMBL5780735 0.85 THRB (0.43) THRBHPGDHSD17B10KMT2APTGER4

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