SCHEMBL28893602

SCHEMBL28893602

C[C@H](CN)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TAAR1 Q96RJ0 2/20 0.47
AOC3 Q16853 1/20 0.46
SLC6A4 P31645 1/20 0.44
ALOX5 P09917 1/20 0.43
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL29484444 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL28422249 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL6018191 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL1780462 0.98 HTR2A (0.50) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL6014505 0.85 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL28381940 0.84 ALDH1A1 (0.43) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL6307997 0.82 HTR1B (0.45) HTR2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2127427 0.82 TSHR (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL15211048 0.82 TSHR (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL3412393 0.80 CYP1A2 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362809-B Chiral perovskite nanosheet, and preparation method and application thereof 国家纳米科学中心 2023-03-31 CN claimed
CN-111362809-A Chiral perovskite nanosheet, and preparation method and application thereof 国家纳米科学中心 2020-07-03 CN claimed
CN-111362809-B Chiral perovskite nanosheet, and preparation method and application thereof 国家纳米科学中心 2023-03-31 CN disclosed
CN-111362809-A Chiral perovskite nanosheet, and preparation method and application thereof 国家纳米科学中心 2020-07-03 CN disclosed