SCHEMBL8562641

SCHEMBL8562641

CN1CCc2ccc(N3CCCN(C4CCC(CCC(=O)O)CC4)C3=O)cc2CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.40
F2 P00734 13/20 0.40
PRSS1 P07477 9/20 0.38
ACHE P22303 3/20 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
SCHEMBL8562636 1.00 F10 (0.40) F10F2PRSS1ACHE
Hydrochloric Acid SCHEMBL8565347 0.99 F10 (0.40) F10F2PRSS1ACHE
SCHEMBL8562349 0.94 F2 (0.39) F10F2ACHE
SCHEMBL8562341 0.94 F2 (0.39) F10F2ACHE
Hydrochloric Acid SCHEMBL8560749 0.93 F2 (0.38) F10F2PRSS1ACHE
Hydrochloric Acid SCHEMBL8597445 0.92 ACHE (0.37) F10F2PRSS1ACHE
Hydrochloric Acid SCHEMBL8566388 0.90 F10 (0.36) F10F2PRSS1ACHE
SCHEMBL9413570 0.89 ACHE (0.45) F10F2PRSS1ACHE
SCHEMBL9413572 0.89 ACHE (0.45) F10F2PRSS1ACHE
Hydrochloric Acid SCHEMBL8559456 0.87 DRD1 (0.37) F10F2PRSS1ACHE

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-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
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP disclosed