SCHEMBL28942003

SCHEMBL28942003

CC1(C)c2ccccc2-c2ccccc21.[LiH]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL29363404 0.97 HTR2A (0.48) HTR2AMLNRNR1I2CHRM2ADRB1
SCHEMBL283246 0.97 HTR2A (0.48) HTR2AMLNRNR1I2CHRM2ADRB1
SCHEMBL24729587 0.94 HTR2A (0.47) HTR2AMLNRNR1I2CHRM2ADRB1
SCHEMBL26331383 0.94 HTR2A (0.47) HTR2AMLNRNR1I2CHRM2ADRB1
Lithium SCHEMBL30363455 0.94 HTR2A (0.47) HTR2AMLNRNR1I2CHRM2ADRB1
Benzene SCHEMBL28919541 0.94 PGR (0.48) HTR2AMLNRNR1I2CHRM2ADRB1
SCHEMBL5014621 0.87 HTR2A (0.43) HTR2AMLNRNR1I2CHRM2ADRB1
Boric Acid SCHEMBL27598471 0.87 PDK2 (0.43) HTR2AMLNRNR1I2CHRM2ADRB1
SCHEMBL5062909 0.87 HTR2A (0.43) HTR2AMLNRNR1I2CHRM2ADRB1
SCHEMBL21759261 0.85 HTR2A (0.46) HTR2AMLNRNR1I2CHRM2ADRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116581253-A Surface modified aluminum foil negative electrode, preparation method thereof and lithium ion battery 中南大学 2023-08-11 CN claimed
CN-116581253-A Surface modified aluminum foil negative electrode, preparation method thereof and lithium ion battery 中南大学 2023-08-11 CN disclosed
CN-115650198-A Preparation method of lithium-rich solvent-philic type lithium ion battery positive electrode material 宜都兴发化工有限公司 2023-01-31 CN disclosed