SCHEMBL8563370

SCHEMBL8563370

COC(=O)CCc1ccc(N2CCN(c3ccc4c(c3)CCNC4)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.40
HTR6 P50406 4/20 0.37
F10 P00742 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
S1PR1 P21453 1/20 0.36
PLAU P00749 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
HDAC1 Q13547 1/20 0.35
ROCK2 O75116 1/20 0.35

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
Acetic Acid SCHEMBL8895876 0.97 ASIC3 (0.38) ASIC3HTR6F10HRH3S1PR1
SCHEMBL8559578 0.94 HTR6 (0.42) HTR6HRH3S1PR1HDAC1
Hydrochloric Acid SCHEMBL8566255 0.93 HTR6 (0.41) HTR6HRH3S1PR1HDAC1
SCHEMBL8564139 0.88 PTGER1 (0.35) ASIC3HTR6F10S1PR1PLAU
SCHEMBL8557059 0.87 S1PR1 (0.43) ASIC3HTR6F10S1PR1PLAU
Hydrochloric Acid SCHEMBL8567567 0.87 PTGER1 (0.36) ASIC3HTR6F10S1PR1PLAU
SCHEMBL8559518 0.85 HRH3 (0.41) HTR6HRH3S1PR1HDAC1
Hydrochloric Acid SCHEMBL8564996 0.84 HRH3 (0.40) HTR6HRH3S1PR1HDAC1
SCHEMBL8558614 0.83 HTR6 (0.38) HTR6HRH3S1PR1
SCHEMBL19642967 0.82 PLAU (0.49) ASIC3HTR6PLAUROCK2

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
CN-1048490-C Cyclic derivatives, pharmaceutical compositions containing these compounds and processes for preparing them THOMAE GMBH DR K (DE) 2000-01-19 CN claimed
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
JP-6256343-A None JP disclosed
CN-1048490-C Cyclic derivatives, pharmaceutical compositions containing these compounds and processes for preparing them THOMAE GMBH DR K (DE) 2000-01-19 CN disclosed
US-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed
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
CN-1099755-A Cyclic derivatives, pharmaceutical compositions containing these compounds and processes for preparing them THOMAE GMBH DR K (DE) 1995-03-08 CN disclosed
JP-H06256343-A CYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND METHOD FOR PREPARING THEM DR KARL THOMAE GMBH 1994-09-13 JP disclosed
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP disclosed