SCHEMBL10455243

SCHEMBL10455243

CCc1ccccc1C1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
ACHE P22303 2/20 0.40
GPR3 P46089 1/20 0.40
BCHE P06276 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP2D6 P10635 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
POLB P06746 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL11803990 0.83 TP53 (0.47) CYP2D6MEN1KMT2A
SCHEMBL27558719 0.80 HTR2A (0.52) HTR2AACHEGPR3CA1CA2
SCHEMBL29175309 0.78 HTR2A (0.45) HTR2AGPR3CA1CA2POLB
SCHEMBL8655669 0.77 HTR2A (0.37) HTR2AACHEGPR3BCHECA1
SCHEMBL28504288 0.77 HTR2A (0.43) HTR2AACHEGPR3CA1CA2
SCHEMBL28502205 0.77 HTR2A (0.43) HTR2AACHEGPR3BCHECA1
SCHEMBL28946011 0.75 CYP1A2 (0.39) HTR2AHTR1AMEN1KMT2AATM
SCHEMBL7646509 0.75 GABRA1 (0.45) HTR2AACHEGPR3BCHECA1
SCHEMBL3202576 0.74 BCHE (0.53) ACHEBCHECA2CYP2D6CHRM2
SCHEMBL3843022 0.74 HTT (0.38) HTR2AACHEGPR3BCHECYP2D6

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-0387690-A1 Process for preparing a syndiotactic polyolefin HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-19 EP disclosed