SCHEMBL29934779

SCHEMBL29934779

COc1cc(F)c(N)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTR2A P28223 5/20 0.47
TAAR1 Q96RJ0 3/20 0.47
HTR2C P28335 2/20 0.47
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HTR2B P41595 1/20 0.39

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
SCHEMBL16650823 1.00 POLB (0.57) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL3708440 0.92 POLB (0.52) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL15561596 0.83 L3MBTL1 (0.69) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL29934976 0.83 L3MBTL1 (0.69) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL192738 0.82 POLB (0.67) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL29447103 0.82 POLB (0.67) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL1766204 0.82 NPC1 (0.46) POLBL3MBTL1HTR2AHTR2CMAPT
SCHEMBL1359709 0.82 HTR2A (0.48) POLBL3MBTL1HTR2ATAAR1HTR2C
SCHEMBL30536258 0.82 HTR2A (0.48) POLBL3MBTL1HTR2ATAAR1HTR2C
Hydrochloric Acid SCHEMBL1401340 0.80 POLB (0.64) POLBL3MBTL1HTR2ATAAR1HTR2C

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
EP-4058435-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2022-09-21 EP disclosed