SCHEMBL6420852

SCHEMBL6420852

CC(C)(C)OC(=O)n1ncc2c1CCNC2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
NR1H2 P55055 2/20 0.36
MAPK1 P28482 1/20 0.34
FAAH O00519 1/20 0.33
ESR2 Q92731 1/20 0.33
HTR6 P50406 2/20 0.32
S1PR1 P21453 1/20 0.32
MAPT P10636 1/20 0.32
HPGDS O60760 1/20 0.32
PNMT P11086 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL1433585 0.85 CHRM3 (0.36) ELANEHTR6S1PR1PNMT
SCHEMBL1434446 0.82 ADORA1 (0.35) HTR6S1PR1MAPTPNMT
SCHEMBL1433350 0.81 S1PR1 (0.40) ELANEHTR6S1PR1PNMT
SCHEMBL16373419 0.80 ELANE (0.52) ELANENR1H2FAAHESR2MAPT
SCHEMBL1434695 0.79 PLAT (0.33) ELANEHTR6S1PR1PNMT
SCHEMBL1433863 0.78 HTR6 (0.31) HTR6S1PR1
SCHEMBL827484 0.78 ELANE (0.50) ELANENR1H2MAPK1FAAHESR2
SCHEMBL28276822 0.74 BUB1 (0.46) NR1H2MAPK1ESR2PNMT
SCHEMBL28361733 0.73 ELANE (0.54) ELANENR1H2FAAHMAPTHTT
SCHEMBL29207748 0.72 ELANE (0.47) ELANENR1H2FAAHESR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed