SCHEMBL9457403

SCHEMBL9457403

COCOc1cccc([Mg]Br)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.36
FFAR1 O14842 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 3/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
FYN P06241 1/20 0.34
APP P05067 1/20 0.33
TSHR P16473 1/20 0.33
NPY1R P25929 1/20 0.32

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
SCHEMBL3138349 0.81 TP53 (0.53) TP53CYP3A4MAPK1LMNACYP1A2
SCHEMBL1607526 0.80 MAOB (0.48) MAOBFFAR1TP53CYP3A4MAPK1
SCHEMBL29411044 0.79 ACHE (0.50) MAOBCYP3A4
SCHEMBL24031 0.79 ACHE (0.50) MAOBCYP3A4
SCHEMBL3458024 0.79 KMT2A (0.50) TP53CYP3A4LMNATSHR
SCHEMBL4260979 0.77 NQO1 (0.36) FYNTSHR
SCHEMBL943678 0.76 MAOB (0.56) MAOBLMNA
SCHEMBL30788655 0.76 MAOB (0.56) MAOBLMNA
SCHEMBL2186305 0.76 MAOB (0.42) MAOBFFAR1TP53CYP3A4MAPK1
SCHEMBL2047854 0.75 MAOB (0.58) MAOBCYP3A4MAPK1LMNAAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402784-B1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-11 EP disclosed
US-5202326-A Inhibitor of enzyme 5-lipoxygenase; antiinflammatory and antiallergic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-04-13 US disclosed
EP-0385680-A2 Heterocyclic ethers as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1990-09-05 EP disclosed