SCHEMBL11219802

SCHEMBL11219802

COc1cc2c(cc1OC)C(C)(CCCCl)OCC2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
PARP1 P09874 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 2/20 0.32
TACR1 P25103 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AKT1 P31749 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
HTT P42858 1/20 0.31
EHMT2 Q96KQ7 2/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL11220851 0.96 MAPT (0.32) MAPTCYP3A4PARP1ALDH1A1MAPK1
SCHEMBL11225472 0.92 MAPK1 (0.33) MAPTCYP3A4ALDH1A1MAPK1KDM4E
SCHEMBL11230864 0.90 HTR2C (0.37) MAPT
SCHEMBL11220983 0.88 MAPK1 (0.33) MAPTCYP3A4ALDH1A1MAPK1KDM4E
SCHEMBL11225886 0.88 HTR2A (0.34) TACR1AKT1HTR1AADRA1D
SCHEMBL11226312 0.84 ALDH1A1 (0.32) MAPTCYP3A4PARP1ALDH1A1MAPK1
SCHEMBL11233879 0.81 AKT1 (0.30) AKT1
SCHEMBL11230856 0.81 ALOX5 (0.36) MEN1KMT2AAKT1
SCHEMBL11221731 0.80 ALOX15 (0.39) MAPTCYP3A4PARP1ALDH1A1MAPK1
SCHEMBL11265594 0.79 HSD17B10 (0.40) MAPTCYP3A4PARP1ALDH1A1MAPK1

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-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-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