SCHEMBL8537573

SCHEMBL8537573

COc1ccc(C(O)CCCCCBr)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ GRIN2B Q13224 1/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL8537740 0.84 ADRA2A (0.48) ADRA2AADRA1AADRB2ADRB1ADRB3
SCHEMBL7784230 0.83 ADRA1A (0.45) ADRA2AADRA1AGRIN2BHTR2ASLC6A4
SCHEMBL8538491 0.81 PDE5A (0.36) ADRA1AADRB2ADRB1
SCHEMBL11552416 0.77 ACLY (0.40) PPARG
SCHEMBL9266828 0.76 ADRA2C (0.51) GAA
SCHEMBL8536545 0.76 TBXAS1 (0.40) ADRA2AADRA1AGAA
SCHEMBL8540406 0.75 AOC3 (0.51) GRIN2BGAAGSK3B
SCHEMBL11385852 0.73 SLC6A4 (0.42) ADRA2AADRA1AHTR2ASLC6A4KCNH2
SCHEMBL474013 0.73 PDE2A (0.51) ADRA2AADRA1AHTR2ASLC6A4KCNH2
SCHEMBL8537569 0.72 MAPT (0.53) SLC6A4GAAMRGPRX4PPARA

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-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 — — US disclosed
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