SCHEMBL8563524

SCHEMBL8563524

COC(=O)CC[C@H]1CC[C@H](N2CC[N+](CC(=O)[O-])(c3ccc4c(c3)CCNC4)C2=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.32
ASIC3 Q9UHC3 1/20 0.30

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
Hydrochloric Acid SCHEMBL8561435 0.79 ACHE (0.41) ACHE
SCHEMBL8561653 0.78 ASIC3 (0.35) ASIC3
SCHEMBL8894590 0.77 F10 (0.35) ACHEASIC3
Hydrochloric Acid SCHEMBL8561656 0.75 ACHE (0.41) ACHE
SCHEMBL8895874 0.75 ASIC3 (0.35) ASIC3
Hydrochloric Acid SCHEMBL8560176 0.74 ACHE (0.40) ACHE
Acetic Acid SCHEMBL8894597 0.73 KHK (0.39) ACHEASIC3
Hydrochloric Acid SCHEMBL8559998 0.73 ACHE (0.39) ACHE
Hydrochloric Acid SCHEMBL8566060 0.69 ACHE (0.40) ACHE
Hydrochloric Acid SCHEMBL7472741 0.69 ACHE (0.41) ACHE

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 4 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 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