SCHEMBL8562707

SCHEMBL8562707

COC(=O)CCC1CCC(N2CCN(c3ccc4c(c3)CCN(C)CC4)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
KHK P50053 1/20 0.35
USP30 Q70CQ3 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
REN P00797 1/20 0.34
CYP3A4 P08684 1/20 0.34
CACNA2D1 P54289 3/20 0.33
SLC6A2 P23975 2/20 0.33
CYP17A1 P05093 1/20 0.33
HTR4 Q13639 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL8562703 1.00 F2 (0.35) F2F10KHKUSP30HRH3
Hydrochloric Acid SCHEMBL8561453 0.99 F2 (0.35) F2F10KHKUSP30HRH3
SCHEMBL7468689 0.93 HRH3 (0.40) F2F10KHKUSP30HRH3
SCHEMBL8564964 0.92 F2 (0.35) F2F10KHKUSP30DRD2
SCHEMBL8564972 0.92 F2 (0.35) F2F10KHKUSP30DRD2
SCHEMBL7474107 0.91 PARP1 (0.38) F2F10HRH3DRD2DRD3
SCHEMBL7474111 0.91 PARP1 (0.38) F2F10HRH3DRD2DRD3
Hydrochloric Acid SCHEMBL8561299 0.91 F2 (0.35) F2F10KHKUSP30CACNA2D1
SCHEMBL8566725 0.91 TMEM97 (0.38) F2F10KHKUSP30HRH3
SCHEMBL8566724 0.91 TMEM97 (0.38) F2F10KHKUSP30HRH3

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