SCHEMBL6421759

SCHEMBL6421759

c1ccc(CN2CCc3occc3C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
TMEM97 Q5BJF2 3/20 0.48
DRD4 P21917 2/20 0.48
HTR2B P41595 2/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
HRH1 P35367 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PNMT P11086 1/20 0.48
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
CHRM3 P20309 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL986160 0.89 SIGMAR1 (0.53) SIGMAR1DRD4PNMTMC4RACHE
SCHEMBL8440094 0.88 PNMT (0.51) SIGMAR1TMEM97DRD4HTR2BADRA2A
SCHEMBL10625310 0.86 ALDH1A1 (0.45) SIGMAR1TMEM97DRD4MEN1KMT2A
SCHEMBL10620206 0.85 LMNA (0.45) SIGMAR1DRD4MEN1KMT2ADRD3
SCHEMBL10620962 0.85 SIGMAR1 (0.48) SIGMAR1HTR1ASLC6A3
SCHEMBL10620955 0.83 MAPT (0.44) MEN1KMT2AACHE
SCHEMBL8439334 0.80 PNMT (0.53) SIGMAR1HTR2BHRH1PNMTHTR1A
SCHEMBL15033587 0.80 HTT (0.39) SIGMAR1TMEM97DRD4HTR2BMEN1
SCHEMBL31134754 0.76 ACHE (0.66) SIGMAR1TMEM97DRD4HTR2BADRA2A
SCHEMBL10978742 0.76 ACHE (0.66) SIGMAR1TMEM97DRD4HTR2BADRA2A

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 10 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
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
CN-1160403-A Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-24 CN disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed
EP-0011447-B1 BLOOD PLATELET AGGREGATION INHIBITORY 1-BENZYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES AND SALTS THEREOF; PHARMACEUTICAL COMPOSITIONS THEREOF; AND ANALOGY PROCESSES FOR THE MANUFACTURE THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-01-05 EP disclosed
US-4238488-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-12-09 US disclosed
EP-0011447-A1 Blood platelet aggregation inhibitory 1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid derivatives and salts thereof; pharmaceutical compositions thereof; and analogy processes for the manufacture thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-05-28 EP disclosed