SCHEMBL8561653

SCHEMBL8561653

COC(=O)CCc1ccc(N2CC[N+](CC(=O)[O-])(c3ccc4c(c3)CCNC4)C2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.35
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32
HTR6 P50406 1/20 0.32
ROCK2 O75116 1/20 0.31
IDO1 P14902 1/20 0.31
EPHX2 P34913 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL8895874 0.95 ASIC3 (0.35) ASIC3DRD2HTR2AHTR2CDRD3
SCHEMBL8896083 0.80 ASIC3 (0.34) ASIC3HTR6ROCK2HRH3
SCHEMBL8563370 0.78 ASIC3 (0.40) ASIC3HTR6ROCK2HRH3
SCHEMBL8563524 0.78 ACHE (0.32) ASIC3
Acetic Acid SCHEMBL8895876 0.76 ASIC3 (0.38) ASIC3HTR6HRH3
SCHEMBL8985729 0.76 ASIC3 (0.37) ASIC3DRD2HTR2AHTR2CDRD3
SCHEMBL19642967 0.73 PLAU (0.49) ASIC3DRD2HTR2AHTR2CDRD3
SCHEMBL8894590 0.73 F10 (0.35) ASIC3HTR6
SCHEMBL8559578 0.72 HTR6 (0.42) DRD2HTR2AHTR2CDRD3HTR6
Hydrochloric Acid SCHEMBL8566255 0.71 HTR6 (0.41) DRD2HTR2AHTR2CDRD3HTR6

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