SCHEMBL7471852

SCHEMBL7471852

O=C(O)CC[C@H]1CC[C@H](N2CCN(c3ccc4c(c3)CCNCC4)C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
KHK P50053 5/20 0.41
HTR6 P50406 8/20 0.41
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
MCHR1 Q99705 1/20 0.36

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
SCHEMBL7471860 1.00 ACHE (0.46) ACHEKHKHTR6F2F10
Hydrochloric Acid SCHEMBL8558247 0.99 ACHE (0.46) ACHEKHKHTR6F2F10
Hydrochloric Acid SCHEMBL8560707 0.95 ACHE (0.43) ACHEKHKHTR6F2F10
SCHEMBL9413572 0.94 ACHE (0.45) ACHEKHKHTR6F2F10
SCHEMBL9413570 0.94 ACHE (0.45) ACHEKHKHTR6F2F10
Hydrochloric Acid SCHEMBL8559858 0.93 ACHE (0.40) ACHEKHKHTR6F2F10
SCHEMBL8562349 0.89 F2 (0.39) ACHEKHKF2F10
SCHEMBL7464169 0.89 F2 (0.39) ACHEKHKF2F10
SCHEMBL7464158 0.89 F2 (0.39) ACHEKHKF2F10
SCHEMBL8562341 0.89 F2 (0.39) ACHEKHKF2F10

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 10 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
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 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
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 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
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP disclosed