SCHEMBL11230689

SCHEMBL11230689

COc1cc2c(cc1OC)C(C)(CCCCCBr)SCCC2

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 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
SCHEMBL11219423 0.93 CYP3A4 (0.31)
SCHEMBL11221614 0.86 SLC2A1 (0.30) SLC2A1
SCHEMBL11225679 0.81 BCHE (0.34)
SCHEMBL11232856 0.79 CYP3A4 (0.32)
SCHEMBL11218730 0.77 CYP3A4 (0.33)
SCHEMBL11225450 0.76 ALDH1A1 (0.32)
SCHEMBL11226312 0.72 ALDH1A1 (0.32)
SCHEMBL11703390 0.72 PARP1 (0.33)
SCHEMBL11224294 0.71 CYP3A4 (0.32)
SCHEMBL11223163 0.71 HTR2C (0.37)

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 7 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-4250181-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-02-10 US disclosed
US-4250175-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS PHARMACIA & UPJOHN COMPANY 1981-02-10 US disclosed
US-4247553-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-01-27 US disclosed
US-4153612-A 2-Benzoxepins THE UPJOHN COMPANY (US) 1979-05-08 US disclosed