SCHEMBL8566724

SCHEMBL8566724

CCOC(=O)CC[C@H]1CC[C@H](N2CCN(c3ccc4c(c3)CCN(C)CC4)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.38
SIGMAR1 Q99720 3/20 0.38
SLC6A2 P23975 2/20 0.38
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
DRD2 P14416 1/20 0.36
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KHK P50053 2/20 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
SCHEMBL8566725 1.00 TMEM97 (0.38) TMEM97SIGMAR1SLC6A2HRH2HRH1
Hydrochloric Acid SCHEMBL8563428 0.99 TMEM97 (0.37) TMEM97SIGMAR1SLC6A2HRH2HRH1
SCHEMBL8562707 0.91 F2 (0.35) SLC6A2DRD2F2F10KHK
SCHEMBL8562703 0.91 F2 (0.35) SLC6A2DRD2F2F10KHK
Hydrochloric Acid SCHEMBL8568014 0.90 ACHE (0.40) TMEM97SIGMAR1SLC6A2HRH2HRH1
Hydrochloric Acid SCHEMBL8561453 0.90 F2 (0.35) SLC6A2DRD2F2F10KHK
Hydrochloric Acid SCHEMBL7478442 0.89 TMEM97 (0.33) TMEM97SIGMAR1SLC6A2HRH2HRH1
SCHEMBL8564592 0.88 DRD2 (0.37) DRD2F2F10ALDH1A1POLB
SCHEMBL8564603 0.88 DRD2 (0.37) DRD2F2F10ALDH1A1POLB
SCHEMBL8562349 0.88 F2 (0.39) F2F10KHKHRH3USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612741-B1 Cyclic derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-06-10 EP claimed
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP claimed
EP-0612741-B1 Cyclic derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-06-10 EP disclosed
US-5612335-A ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART KARL THOMAE GMBH (DE) 1997-03-18 US disclosed
US-5519036-A IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION KARL THOMAE GMBH (DE) 1996-05-21 US disclosed
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP disclosed