SCHEMBL8674232

SCHEMBL8674232

CC1c2ccccc2CN1C1=NCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
RGS12 O14924 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
TIPARP Q7Z3E1 2/20 0.40
ADRA2B P18089 4/20 0.37
ADRA2C P18825 4/20 0.37
ADRA2A P08913 3/20 0.37
ADRA1A P35348 2/20 0.37
SLC6A2 P23975 7/20 0.34
SLC6A4 P31645 7/20 0.34
SLC6A3 Q01959 6/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL8675140 0.82 ADRA2B (0.37) MAPTRGS12KDM4EMEN1CYP1A2
SCHEMBL8674172 0.71 ADRA2A (0.50) MAPTKDM4EMEN1KMT2AADRA2B
SCHEMBL8671137 0.71 MAPT (0.58) MAPTRGS12KDM4EMEN1CYP1A2
Hydrochloric Acid SCHEMBL8674349 0.69 ADRA2A (0.48) MAPTKDM4EMEN1CYP3A4KMT2A
SCHEMBL6591541 0.69 TIPARP (0.43) MAPTRGS12KDM4EMEN1CYP1A2
SCHEMBL30101527 0.65 TIPARP (0.48) MAPTRGS12KDM4EMEN1CYP1A2
SCHEMBL18559580 0.64 SLC6A2 (0.46) MAPTRGS12KDM4EMEN1CYP1A2
SCHEMBL11997024 0.64 SLC6A2 (0.46) MAPTRGS12KDM4EMEN1CYP1A2
SCHEMBL10278431 0.64 SLC6A2 (0.46) MAPTRGS12KDM4EMEN1CYP1A2
SCHEMBL19902791 0.64 TIPARP (0.39) MAPTRGS12KDM4EMEN1CYP1A2

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