SCHEMBL8675140

SCHEMBL8675140

ClC1c2ccccc2CN1C1=NCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 4/20 0.37
ADRA2C P18825 4/20 0.37
ADRA2A P08913 3/20 0.37
ADRA1A P35348 2/20 0.37
MAPT P10636 2/20 0.32
RGS12 O14924 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL8674232 0.82 MAPT (0.42) ADRA2BADRA2CADRA2AADRA1AMAPT
SCHEMBL8674172 0.71 ADRA2A (0.50) ADRA2BADRA2CADRA2AADRA1AMAPT
SCHEMBL8672432 0.71 MAPT (0.45) ADRA2AADRA1AMAPTRGS12KDM4E
SCHEMBL8671629 0.71 SLC6A2 (0.32) MAPTRGS12KDM4EMEN1CYP1A2
Hydrochloric Acid SCHEMBL8674349 0.69 ADRA2A (0.48) ADRA2BADRA2CADRA2AADRA1AMAPT
SCHEMBL8677169 0.62 CYP1A2 (0.55) ADRA2BADRA2CADRA2AADRA1ACYP1A2
SCHEMBL9562173 0.62 TP53 (0.44) ADRA2BADRA2CADRA2AMAPTMEN1
SCHEMBL10680232 0.60 ADRA2A (0.53) ADRA2BADRA2CADRA2AADRA1ACYP1A2
SCHEMBL8674126 0.59 TIPARP (0.42) ADRA2BADRA2CADRA2ACYP1A2KCNH2
SCHEMBL3737540 0.58 ADRA1A (0.49) ADRA2BADRA2CADRA2AADRA1AMEN1

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
US-5726197-A ADRENORECEPTORS AND ADMINISTERING SYNTEX (U.S.A.) INC. (US) 1998-03-10 US disclosed