SCHEMBL8894590

SCHEMBL8894590

COC(=O)CCC1CCC([N+]2(CC(=O)[O-])CCN(c3ccc4c(c3)CCNC4)C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.35
ASIC3 Q9UHC3 1/20 0.34
HTR6 P50406 4/20 0.32
ACHE P22303 2/20 0.32

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
SCHEMBL8563524 0.77 ACHE (0.32) ASIC3ACHE
SCHEMBL8895874 0.76 ASIC3 (0.35) F10ASIC3HTR6
Acetic Acid SCHEMBL8894597 0.75 KHK (0.39) F10ASIC3HTR6ACHE
SCHEMBL8561653 0.73 ASIC3 (0.35) ASIC3HTR6
Hydrochloric Acid SCHEMBL8566060 0.71 ACHE (0.40) F10HTR6ACHE
Hydrochloric Acid SCHEMBL7472741 0.71 ACHE (0.41) F10HTR6ACHE
SCHEMBL8896083 0.69 ASIC3 (0.34) F10ASIC3HTR6
Hydrochloric Acid SCHEMBL8595133 0.69 HTR6 (0.39) HTR6ACHE
SCHEMBL8563370 0.68 ASIC3 (0.40) F10ASIC3HTR6
SCHEMBL8563454 0.66 HTR6 (0.41) ASIC3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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