SCHEMBL11230840

SCHEMBL11230840

COc1cc2c(c(C(F)(F)F)c1OC)C(C)(CCCCl)OCC2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.30

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
SCHEMBL11230856 0.86 ALOX5 (0.36) ALOX5
SCHEMBL11233879 0.79 AKT1 (0.30)
SCHEMBL11222553 0.79 ALOX5 (0.30) ALOX5
SCHEMBL11225886 0.79 HTR2A (0.34)
SCHEMBL11219802 0.75 MAPT (0.33)
SCHEMBL11218640 0.74 HTR1A (0.37)
SCHEMBL11220851 0.72 MAPT (0.32)
SCHEMBL11230864 0.71 HTR2C (0.37)
SCHEMBL11218655 0.69
SCHEMBL11225472 0.69 MAPK1 (0.33)

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