SCHEMBL5779164

SCHEMBL5779164

COCCc1nc2cc(C(=O)O)ccc2n1-c1cccc(N2CCN(CCOCc3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.45
THRB P10828 1/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
GLP1R P43220 2/20 0.42
TMEM97 Q5BJF2 4/20 0.41
SIGMAR1 Q99720 3/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 1/20 0.40
LRRK2 Q5S007 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
PTGER4 P35408 1/20 0.40
OPRM1 P35372 1/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.38

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
SCHEMBL4703168 0.92 THRB (0.48) THRBRAB9AMAPTTSHRGLP1R
SCHEMBL4702408 0.91 THRB (0.44) THRBRAB9AMAPTTSHRHSD17B10
SCHEMBL5778637 0.89 THRB (0.46) CRBNTHRBRAB9AMAPTTSHR
SCHEMBL4703390 0.87 THRB (0.46) THRBRAB9AMAPTTSHRGLP1R
SCHEMBL5781185 0.87 THRB (0.48) THRBGLP1RHSD17B10PTGER4
SCHEMBL5777980 0.86 THRB (0.49) CRBNTHRBHSD17B10PTGER4
SCHEMBL5779114 0.86 THRB (0.47) CRBNTHRBMAPTTSHRGLP1R
SCHEMBL4703868 0.85 THRB (0.44) THRBRAB9AMAPTTSHRGLP1R
SCHEMBL5783447 0.84 HPGD (0.46) CRBNTHRBTSHRGLP1RHSD17B10
SCHEMBL5783864 0.84 THRB (0.46) CRBNTHRBRAB9AMAPTTSHR

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