SCHEMBL29941308

SCHEMBL29941308

c1ccc([C@@H]2C[C@H]2c2ccc3ccccc3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.63
PLAU P00749 1/20 0.63
PLAT P00750 1/20 0.63
KLK1 P06870 1/20 0.63
HTR2C P28335 2/20 0.56
HTR2B P41595 1/20 0.56
SLC6A4 P31645 10/20 0.53
SLC6A2 P23975 8/20 0.53
SLC6A3 Q01959 8/20 0.53
CYP2D6 P10635 8/20 0.51
KCNH2 Q12809 4/20 0.51
CYP3A4 P08684 3/20 0.51
MAOB P27338 5/20 0.47
KDM1A O60341 4/20 0.47
MAOA P21397 4/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP2C19 P33261 3/20 0.45
CYP2B6 P20813 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45

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
SCHEMBL21067278 1.00 PLG (0.63) PLGPLAUPLATKLK1HTR2C
SCHEMBL31596842 0.88 HTR2C (0.51) PLGPLAUPLATKLK1HTR2C
SCHEMBL28829976 0.83 CYP1A2 (0.55) PLGPLAUPLATKLK1HTR2C
SCHEMBL3612181 0.81 PLG (0.52) PLGPLAUPLATKLK1HTR2C
SCHEMBL20656974 0.79 HTR2C (0.61) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL12972028 0.79 HTR2C (0.61) HTR2CHTR2BSLC6A4SLC6A2SLC6A3
SCHEMBL8845464 0.79 MAOB (0.65) HTR2CHTR2BSLC6A2SLC6A3CYP2D6
SCHEMBL10540521 0.79 MAOB (0.65) HTR2CHTR2BSLC6A2SLC6A3CYP2D6
SCHEMBL2261976 0.79 MAOB (0.65) HTR2CHTR2BSLC6A2SLC6A3CYP2D6
SCHEMBL4312320 0.78 PLAU (1.00) PLGPLAUPLATKLK1

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
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed