SCHEMBL11224244

SCHEMBL11224244

COc1cc2c(c(C(F)(F)F)c1OC)C(COCCOS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
FKBP1A P62942 1/20 0.36
HTR1A P08908 4/20 0.34
DRD2 P14416 2/20 0.34
DRD1 P21728 2/20 0.34
HTR2A P28223 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
POLB P06746 1/20 0.33
HTR6 P50406 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
ALPL P05186 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
SCHEMBL11227829 0.85 PRMT5 (0.38) PRMT5WDR77FKBP1AHTR1ADRD2
SCHEMBL11220465 0.83 HTR1A (0.39) PRMT5WDR77HTR1ADRD2DRD1
SCHEMBL11371823 0.78 TUBB4A (0.33) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL11219778 0.78 PRMT5 (0.37) PRMT5WDR77HTR1ADRD2CA1
SCHEMBL11229538 0.77 CA1 (0.36) PRMT5WDR77HTR1ADRD2DRD1
SCHEMBL11226586 0.76
SCHEMBL11224532 0.76 SMN1; SMN2 (0.32) HTR1AHTR2AALDH1A1KDM4E
SCHEMBL11218512 0.75 CA1 (0.44) PRMT5WDR77CA1CA2CA9
SCHEMBL11446271 0.75 KDM4E (0.31) POLBALDH1A1KDM4EACHE
SCHEMBL11223854 0.73 CA1 (0.38) PRMT5WDR77HTR2ACA1CA2

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 12 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-4207239-A HYPOTENSIVE, ANTIPSYCHOTIC THE UPJOHN COMPANY (US) 1980-06-10 US disclosed
US-4206123-A INTERMEDIATES FOR HYPOTENSIVES MCCALL JOHN M (US) 1980-06-03 US disclosed
US-4181665-A INTERMEDIATES FOR AMINO DERIVATIVES POSSESSING HYPOTENSIVE AND CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1980-01-01 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