SCHEMBL7809148

SCHEMBL7809148

CC(C)NCC(O)COc1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.64
DNM1 Q05193 1/20 0.64
ADRB1 P08588 5/20 0.59
CYP2D6 P10635 3/20 0.59
ADRB3 P13945 3/20 0.59
SLC6A2 P23975 3/20 0.58
PTGS1 P23219 2/20 0.58
HTR1A P08908 2/20 0.58
ADRA2A P08913 2/20 0.58
OPRM1 P35372 2/20 0.58
DRD3 P35462 2/20 0.58
ABCB11 O95342 1/20 0.58
MAPT P10636 1/20 0.55
CYP1A2 P05177 2/20 0.52
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
SLC6A4 P31645 2/20 0.52
HTR2B P41595 2/20 0.52
HTR6 P50406 2/20 0.52
SLC10A1 Q14973 2/20 0.52

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
SCHEMBL14027323 0.83 KIF11 (0.51) ADRB2DNM1MAPTALDH1A1
SCHEMBL17950798 0.81 CTSV (0.50) ADRB2DNM1ADRB1ADRB3
SCHEMBL8182735 0.81 CTSV (0.48) ADRB2DNM1MAPTNR2E1ALDH1A1
SCHEMBL7810203 0.81 CTSV (0.48) ADRB2DNM1MAPTNR2E1ALDH1A1
SCHEMBL30001104 0.80 ADRB2 (0.59) ADRB2DNM1ADRB1CYP2D6ADRB3
SCHEMBL20553432 0.80 ADRB2 (0.59) ADRB2DNM1ADRB1CYP2D6ADRB3
SCHEMBL6914178 0.79 CTSV (0.43) ADRB2DNM1ADRB1ADRB3
SCHEMBL7110854 0.79 CTSV (0.43) ADRB2DNM1ADRB1ADRB3
SCHEMBL7110846 0.79 CTSV (0.43) ADRB2DNM1ADRB1ADRB3
SCHEMBL9768425 0.79 ADRB2 (0.46) ADRB2DNM1ADRB1CYP2D6ADRB3

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-0708767-B1 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR CARBAZOLE AND DIBENZOFURAN DERIVATIVES ABBOTT LAB (US) 2001-02-14 EP claimed