SCHEMBL11218367

SCHEMBL11218367

CCOc1ccc2c(c1)CCCOC2CCCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DRD2 P14416 5/20 0.34
HTR1D P28221 5/20 0.34
HTR2A P28223 5/20 0.34
HTR1A P08908 3/20 0.34
DRD4 P21917 2/20 0.34
NQO2 P16083 1/20 0.34

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
SCHEMBL11224491 0.92 MAPT (0.45) PPARDMEN1MAPTKMT2ACA1
SCHEMBL11217850 0.86 PPARD (0.39) PPARDMEN1MAPTKMT2ACA1
SCHEMBL11224385 0.85 PPARD (0.40) PPARDMEN1MAPTKMT2ACA1
SCHEMBL11226510 0.79 PPARD (0.41) PPARDMEN1MAPTKMT2ACA1
SCHEMBL11218364 0.78 PPARD (0.39) PPARDMEN1MAPTKMT2ACA1
SCHEMBL11224608 0.76 MAPT (0.46) PPARDMEN1MAPTKMT2ACA1
SCHEMBL10990476 0.74 KCNN2 (0.41) NQO2MTNR1AMTNR1B
SCHEMBL11370362 0.74 KCNN2 (0.41) NQO2MTNR1AMTNR1B
SCHEMBL11224320 0.71 CA1 (0.39) PPARDMEN1MAPTKMT2ACA1
SCHEMBL11220870 0.70 HTR2C (0.43) MAPTHTR2A

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-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-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