SCHEMBL8561622

SCHEMBL8561622

CN1CCc2ccc(N3CCN(C4CCC(OCC(=O)O)CC4)C3=O)cc2CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
KHK P50053 4/20 0.36
HRH3 Q9Y5N1 1/20 0.36
AKT1 P31749 1/20 0.36
MTOR P42345 1/20 0.36
HTT P42858 1/20 0.35
CYP17A1 P05093 1/20 0.35
ADCY5 O95622 1/20 0.34
USP30 Q70CQ3 1/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34

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
SCHEMBL8561618 1.00 F2 (0.39) F2F10ITGB3ITGA2BKHK
Hydrochloric Acid SCHEMBL8567119 0.99 F2 (0.38) F2F10ITGB3ITGA2BKHK
Hydrochloric Acid SCHEMBL8561905 0.88 KHK (0.41) F2F10ITGB3ITGA2BKHK
SCHEMBL8562341 0.84 F2 (0.39) F2F10KHKHRH3HTT
SCHEMBL8562349 0.84 F2 (0.39) F2F10KHKHRH3HTT
Hydrochloric Acid SCHEMBL8560749 0.83 F2 (0.38) F2F10KHKHRH3HTT
SCHEMBL7465369 0.83 F10 (0.38) F2F10ITGB3ITGA2BKHK
SCHEMBL7465375 0.83 F10 (0.38) F2F10ITGB3ITGA2BKHK
SCHEMBL7473162 0.82 F10 (0.43) F2F10KHKCYP17A1
Hydrochloric Acid SCHEMBL7480546 0.82 F10 (0.38) F2F10KHKHRH3HTT

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 7 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
US-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed
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