SCHEMBL21376880

SCHEMBL21376880

CN1c2c(ccc3c2-c2ccccc2C3(C)C)-c2ccccc2-c2ccc3c(c21)-c1ccccc1C3(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
PGR P06401 8/20 0.35
HTT P42858 4/20 0.35
LMNA P02545 3/20 0.35
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 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
SCHEMBL21376894 0.91 MAPT (0.31) MAPTPGRHTTLMNAMLNR
SCHEMBL21376884 0.91 MAPT (0.41) MAPTPGRHTTLMNAKMT2A
SCHEMBL21376902 0.88 MAPT (0.37) MAPTPGRHTTLMNAKMT2A
SCHEMBL21376897 0.84 MAPT (0.35) MAPTHTTLMNAKMT2AGAA
SCHEMBL21376887 0.83 MAPT (0.34) MAPTHTTLMNAKMT2AGAA
SCHEMBL21376879 0.77 MAPT (0.34) MAPTHTTLMNAKMT2AGAA
SCHEMBL21376892 0.77 PGR (0.36) MAPTPGRHTTLMNAKMT2A
SCHEMBL21377084 0.76 MAPT (0.36) MAPTPGRHTTLMNAMLNR
SCHEMBL12776553 0.74 MAPT (0.38) MAPTPGRHTTLMNAKMT2A
SCHEMBL24570534 0.73 HTR2A (0.37) MAPTPGRLMNAMLNRNR1I2

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
WO-2019174650-A1 COMPOUND HAVING BENZENE CORE, PREPARATION METHOD THEREFOR AND USES THEREOF ON ORGANIC ELECTROLUMINESCENT DEVICE 江苏三月光电科技有限公司 2019-09-19 WO disclosed