SCHEMBL29890232

SCHEMBL29890232

Oc1ccc(F)c(OC(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 15/20 0.38
RXRA P19793 14/20 0.38
GRIN1 Q05586 14/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KCNH2 Q12809 2/20 0.35

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
SCHEMBL983298 1.00 GRIN2B (0.38) GRIN2BRXRAGRIN1MAOBKMT2A
SCHEMBL7779435 0.83 ESR1 (0.38) KMT2AALDH1A1MAPT
SCHEMBL27859538 0.82 MAOB (0.41) MAOBADRA2AADRA2BADRA2CLMNA
SCHEMBL28043602 0.78 GRIN2B (0.40) GRIN2BRXRAGRIN1KMT2AALDH1A1
SCHEMBL363523 0.78 HSD17B10 (0.46) GRIN2BRXRAGRIN1KMT2AALDH1A1
SCHEMBL22431611 0.78 MAOB (0.36) MAOBALDH1A1MAPT
SCHEMBL900869 0.75 ALDH1A1 (0.45) GRIN2BRXRAGRIN1KMT2AALDH1A1
SCHEMBL29525099 0.75 GRIN2B (0.41) GRIN2BRXRAGRIN1KMT2AALDH1A1
SCHEMBL30349361 0.75 GRIN2B (0.41) GRIN2BRXRAGRIN1KMT2AALDH1A1
SCHEMBL14386474 0.75 GRIN2B (0.41) GRIN2BRXRAGRIN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220917-A1 PRMT5 INHIBITORS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2024-10-24 WO disclosed
EP-4313951-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-02-07 EP disclosed
CN-117062804-A 1, 3-substituted cyclobutyl derivatives and their use 诺华股份有限公司 2023-11-14 CN disclosed
CN-111278818-B BTK inhibitor compounds 伊莱利利公司 2023-03-28 CN disclosed
WO-2022201097-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2022-09-29 WO disclosed