SCHEMBL31151007

SCHEMBL31151007

C[C@H](N)c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
NFKB1 P19838 1/20 0.45
PNMT P11086 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.42
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1132337 1.00 CYP3A4 (0.45) CYP3A4CYP2D6CYP1A2NFKB1PNMT
SCHEMBL31150950 1.00 CYP3A4 (0.45) CYP3A4CYP2D6CYP1A2NFKB1PNMT
SCHEMBL1454663 1.00 CYP3A4 (0.45) CYP3A4CYP2D6CYP1A2NFKB1PNMT
SCHEMBL1345820 1.00 CYP3A4 (0.45) CYP3A4CYP2D6CYP1A2NFKB1PNMT
Hydrochloric Acid SCHEMBL28934782 0.98 IDO1 (0.47) CYP3A4CYP2D6CYP1A2NFKB1PNMT
Hydrochloric Acid SCHEMBL30268799 0.98 IDO1 (0.47) CYP3A4CYP2D6CYP1A2NFKB1PNMT
Hydrochloric Acid SCHEMBL14120766 0.98 IDO1 (0.47) CYP3A4CYP2D6CYP1A2NFKB1PNMT
Iodide SCHEMBL28685281 0.98 CYP3A4 (0.43) CYP3A4CYP2D6CYP1A2NFKB1PNMT
SCHEMBL5846481 0.86 MAOA (0.46) CYP3A4CYP2D6CYP1A2NFKB1PNMT
SCHEMBL14395925 0.81 CYP2D6 (0.54) CYP3A4CYP2D6CYP1A2NFKB1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118946165-A Interface interaction spin-photon conversion body heterostructure and preparation method 武汉大学 2024-11-12 CN claimed
CN-118922037-A Chiral photoelectric functional material with wide band gap and preparation method thereof 武汉大学 2024-11-08 CN claimed
CN-118745344-A Perovskite circular polarization luminescent material with chiral low-dimensional-three-dimensional heterojunction structure and application thereof 武汉大学 2024-10-08 CN claimed
CN-118946165-A Interface interaction spin-photon conversion body heterostructure and preparation method 武汉大学 2024-11-12 CN disclosed
CN-118922037-A Chiral photoelectric functional material with wide band gap and preparation method thereof 武汉大学 2024-11-08 CN disclosed
CN-118745344-A Perovskite circular polarization luminescent material with chiral low-dimensional-three-dimensional heterojunction structure and application thereof 武汉大学 2024-10-08 CN disclosed