SCHEMBL8170752

SCHEMBL8170752

CCCCCC(N)C(c1ccccc1)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.39
CSNK1E P49674 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
NR3C2 P08235 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
PPARA Q07869 1/20 0.34
HTR1A P08908 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.33
KIF11 P52732 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL7993168 0.82 CSNK1E (0.45) CSNK1ECNR2KIF11
SCHEMBL8741781 0.78 SMN1; SMN2 (0.38) CNR1CNR2PPARATSHRSMN1; SMN2
SCHEMBL29788858 0.77 KIF11 (0.41) CSNK1ECNR2KIF11
SCHEMBL5023004 0.74 CHRM2 (0.39) NR3C2HTTKIF11
SCHEMBL5712889 0.73 SIGMAR1 (0.34) SIGMAR1CSNK1ECNR1CNR2NR3C2
SCHEMBL7144168 0.73 HTR1A (0.43) CSNK1ECNR1CNR2NR3C2ALOX5
SCHEMBL7147413 0.73 HTR1A (0.43) CSNK1ECNR1CNR2NR3C2ALOX5
SCHEMBL10586377 0.72 TAAR1 (0.38) NR3C2HTTKIF11SMN1; SMN2
SCHEMBL8734430 0.72 NR3C2 (0.37) NR3C2ALOX5HTTSMN1; SMN2
SCHEMBL5022963 0.72 KIF11 (0.36) NR3C2HTTKIF11

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
WO-2000044891-A1 DNA-CONTAINING INK GENOTECH CORPORATION (KR) 2000-08-03 WO claimed