SCHEMBL5268949

SCHEMBL5268949

CCC(Cc1ccc(Br)cc1)OC(CC)Cc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
MME P08473 5/20 0.37
TAAR1 Q96RJ0 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR2A P28223 1/20 0.35
ACACB O00763 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8750366 0.81 AGXT (0.40) IDO1TAAR1ACACBPPARGPPARA
SCHEMBL4443818 0.80 TAAR1 (0.42) IDO1TAAR1SIGMAR1HTR2ANPC1
SCHEMBL27617197 0.79 SIGMAR1 (0.46) IDO1MMETAAR1SIGMAR1HTR2A
SCHEMBL13430494 0.79 PPARA (0.41) IDO1MMETAAR1SIGMAR1HTR2A
SCHEMBL3685154 0.78 TRPA1 (0.48) TAAR1SIGMAR1CYP2D6
SCHEMBL2197431 0.77 IDO1 (0.46) IDO1TAAR1SIGMAR1CYP1A2CYP2D6
SCHEMBL13819771 0.76 TAAR1 (0.40) IDO1MMETAAR1SIGMAR1HTR2A
SCHEMBL13819785 0.76 TAAR1 (0.40) IDO1MMETAAR1SIGMAR1HTR2A
SCHEMBL3474952 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL6771848 0.74 SIGMAR1 (0.41) IDO1MMETAAR1SIGMAR1HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1968954-A Thienopyridine Derivatives SANKYO CO (JP) 2007-05-23 CN disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed