SCHEMBL28775673

SCHEMBL28775673

CCCC(CCCc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
KCNH2 Q12809 3/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HTR2A P28223 1/20 0.46
KDM4A O75164 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL6283206 0.89 CYP19A1 (0.47) SIGMAR1KCNH2CHRM2HTR1AADRA2A
SCHEMBL5332634 0.89 HTR2A (0.41) SIGMAR1KCNH2CHRM2HTR1AADRA2A
SCHEMBL6283212 0.87 KCNH2 (0.48) SIGMAR1KCNH2CHRM2HTR1AADRA2A
SCHEMBL27464581 0.86 HTR2A (0.59) SIGMAR1KCNH2CHRM2ADRA2ACHRM1
SCHEMBL27464580 0.86 HTR2A (0.55) SIGMAR1KCNH2CHRM2HTR1AADRA2A
SCHEMBL28056319 0.85 CYP19A1 (0.49) SIGMAR1KCNH2CHRM2HTR1AADRA2A
SCHEMBL2052039 0.84 POLB (0.45) SIGMAR1OPRM1HTR2A
SCHEMBL1263573 0.84 AOC3 (0.48) SIGMAR1HTR2A
SCHEMBL10014098 0.84 HTR2A (0.49) SIGMAR1KCNH2CHRM2HTR1AADRA2A
SCHEMBL5423814 0.82 SIGMAR1 (0.44) SIGMAR1OPRM1HTR2A

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
CN-101282719-A Glepp-1 inhibitors for the treatment of autoimmune and/or inflammatory diseases SERONO LAB (CH) 2008-10-08 CN claimed