SCHEMBL10758064

SCHEMBL10758064

CC1(C)C=C(N2CCCC2=O)c2cc(Cl)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 4/20 0.33

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
SCHEMBL10757454 0.82 CASP6 (0.40) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL9139375 0.82 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL10757385 0.82 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL9138225 0.81 PDE4A (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8807534 0.80 PDE4A (0.34) PDE4APDE4BPDE4CPDE4D
SCHEMBL8807651 0.80 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8811078 0.80 PDE4A (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8810430 0.80 PDE4A (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL9127881 0.80 CYP11B1 (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL10759518 0.79 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0093535-B1 NOVEL CHROMENES AND CHROMANS BEECHAM GROUP PLC (GB) 1986-12-30 — — EP claimed
EP-0093535-A1 Novel chromenes and chromans BEECHAM GROUP PLC (GB) 1983-11-09 — — EP claimed
US-4647670-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1987-03-03 — — US disclosed
EP-0093535-B1 NOVEL CHROMENES AND CHROMANS BEECHAM GROUP PLC (GB) 1986-12-30 — — EP disclosed
US-4510152-A Antihypertensive chromenes and chromans BEECHAM GROUP P.L.C. (GB) 1985-04-09 — — US disclosed
EP-0093535-A1 Novel chromenes and chromans BEECHAM GROUP PLC (GB) 1983-11-09 — — EP disclosed
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