SCHEMBL27765989

SCHEMBL27765989

CC(OCc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTR2A P28223 1/20 0.43
IDO1 P14902 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14289858 0.87 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3IDO1CHRNB2
SCHEMBL2701985 0.87 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3IDO1CHRNB2
SCHEMBL20837459 0.84 FFAR1 (0.46) SLC6A4HTR1ASLC6A2SLC6A3CHRNB2
SCHEMBL14342059 0.84 SMN1; SMN2 (0.49) SLC6A4SLC6A2SLC6A3CHRNB2CHRNA4
SCHEMBL12260703 0.82 CHRNB2 (0.41) SLC6A4SLC6A2OPRM1SLC6A3IDO1
SCHEMBL31274209 0.82 MAOB (0.46) SLC6A4SLC6A2SLC6A3IDO1CHRNB2
SCHEMBL28488082 0.81 CHRM2 (0.54) SLC6A4CHRM2HTR1AADRA2ACHRM1
SCHEMBL1947237 0.81 MAOB (0.50) IDO1HTR7HTR6MAOBSIGMAR1
SCHEMBL5855793 0.81 CASR (0.46) SLC6A4CHRM2HTR1AADRA2ACHRM1
SCHEMBL5855802 0.81 CASR (0.46) SLC6A4CHRM2HTR1AADRA2ACHRM1

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-101610995-A Novel glucagon receptor antagonists METABASIS THERAPEUTICS INC (US) 2009-12-23 CN disclosed