SCHEMBL11226178

SCHEMBL11226178

COc1cc2c(c(OC)c1OC)C(COCCOS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCC(C)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HTR1A P08908 4/20 0.37
DRD2 P14416 2/20 0.37
DRD1 P21728 2/20 0.37
HTR2A P28223 1/20 0.37
PTGS2 P35354 1/20 0.36
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KMT2A Q03164 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HTT P42858 1/20 0.32
KRAS P01116 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PDE5A O76074 1/20 0.32
MEN1 O00255 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
SCHEMBL11220465 0.85 HTR1A (0.39) PRMT5WDR77HTR1ADRD2DRD1
SCHEMBL11230699 0.83 PTGS2 (0.38) HTR1ADRD2DRD1HTR2APTGS2
SCHEMBL11222265 0.80 HTR1A (0.33) PRMT5WDR77HTR1ADRD2DRD1
SCHEMBL11228878 0.77 ATM (0.37) ACHEKMT2AMEN1
SCHEMBL11231607 0.77 ATM (0.37) DRD1ACHEKMT2AMEN1
SCHEMBL11465887 0.75 HTR1A (0.39) HTR1ADRD2DRD1HTR2APTGS2
SCHEMBL11219778 0.75 PRMT5 (0.37) PRMT5WDR77HTR1ADRD2KMT2A
SCHEMBL11229538 0.75 CA1 (0.36) PRMT5WDR77HTR1ADRD2DRD1
SCHEMBL11218512 0.74 CA1 (0.44) PRMT5WDR77ACHEKMT2ACA1
SCHEMBL11219656 0.73 PRMT5 (0.34) PRMT5WDR77PTGS2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352805-A BENZOXEPINE DERIVATIVES THE UPJOHN COMPANY (US) 1982-10-05 US disclosed
US-4312868-A HYPOTENSIVE, ANTIPSYCHOTIC THE UPJOHN COMPANY (US) 1982-01-26 US disclosed
US-4251526-A HYPOTENSIVE AGENTS AND ANTIPSYCHOTIC PHARMACIA & UPJOHN COMPANY 1981-02-17 US disclosed
US-4250175-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS PHARMACIA & UPJOHN COMPANY 1981-02-10 US disclosed
US-4250181-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-02-10 US disclosed
US-4247553-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-01-27 US disclosed
US-4179510-A ISOCHROMANS AND 2-BENZOXEPINS THE UPJOHN COMPANY (US) 1979-12-18 US disclosed
US-4166062-A HYPOTENSIVE AGENTS, CNS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-08-28 US disclosed
US-4153612-A 2-Benzoxepins THE UPJOHN COMPANY (US) 1979-05-08 US disclosed