SCHEMBL10609155

SCHEMBL10609155

COC1CC=Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.35
HTR2A P28223 2/20 0.34
CYP2D6 P10635 2/20 0.34
MAPT P10636 1/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
HTR2C P28335 3/20 0.33
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 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
SCHEMBL29479374 1.00 RET (0.35) RETHTR2ACYP2D6MAPTPSEN1
SCHEMBL30014231 0.81 HTR2A (0.34) RETHTR2ACYP2D6
SCHEMBL8931130 0.81 HTR2A (0.34) RETHTR2ACYP2D6MAPTKDM4E
SCHEMBL7472007 0.80 HTR2C (0.31) RETHTR2CCNR2SLC6A2
SCHEMBL19409297 0.78 POLB (0.45) RETMAPTKDM4EDRD2KMT2A
SCHEMBL14048082 0.77 RET (0.33) RETHTR2A
SCHEMBL15372611 0.74 RET (0.37) RETHTR2ACYP2D6HTR2CKDM4E
SCHEMBL19393419 0.74 LMNA (0.38) RETHTR2AMAPTKDM4ELMNA
SCHEMBL2875769 0.74 BRD4 (0.38) RETHTR2ACYP2D6MAPTHTR2C
SCHEMBL30485647 0.74 BRD4 (0.38) RETHTR2ACYP2D6MAPTHTR2C

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109992-A1 NOVEL PROCESS FOR PREPARATION OF DULOXETINE AND INTERMEDIATES FOR USE THEREIN ARCH PHARMALABS LIMITED (IN) 2009-09-11 WO disclosed
EP-0150192-B1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-20 EP disclosed
US-4745110-A ANTIULCER AGENTS, ANTISECRETORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1988-05-17 US disclosed
US-4692445-A ANTISECRETORY, ANTIULCEROGENIC AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1987-09-08 US disclosed
US-4647559-A ANTISECRETORY AND ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1987-03-03 US disclosed
US-4638001-A ANTISECRETORY, ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1987-01-20 US disclosed
US-4588719-A ANTISCERETORY AGENTS, ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1986-05-13 US disclosed
EP-0150192-A4 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS. RORER INTERNAT OVERSEAS INC (US) 1985-09-16 EP disclosed
EP-0150192-A1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS. RORER INT OVERSEAS (US) 1985-08-07 EP disclosed
US-4529723-A Gastrointestinal disorders; antiulcer agents WILLIAM H. RORER, INC. (US) 1985-07-16 US disclosed
WO-1984004247-A1 BICYCLIC BENZENOID AMINOALKYLENE ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INT OVERSEAS (US) 1984-11-08 WO disclosed