SCHEMBL7390891

SCHEMBL7390891

CCOC(=O)C1CCC(N2CCN(c3ccc(C4CCNCC4)cc3)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KHK P50053 4/20 0.41
LGMN Q99538 2/20 0.41
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
F10 P00742 1/20 0.38
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL7390889 1.00 KHK (0.41) KHKLGMNMAPTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7391597 0.99 KHK (0.41) KHKLGMNMAPTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7390541 0.88 HRH3 (0.43) KHKMAPTALDH1A1PARP1
Hydrochloric Acid SCHEMBL7393664 0.86 KHK (0.38) KHKPARP1
SCHEMBL7391636 0.84 KHK (0.44) KHKF10PARP1
SCHEMBL7391632 0.84 KHK (0.44) KHKF10PARP1
SCHEMBL7392091 0.84 POLB (0.41) LGMNMAPTALDH1A1L3MBTL1F10
SCHEMBL7392094 0.84 POLB (0.41) LGMNMAPTALDH1A1L3MBTL1F10
SCHEMBL7385478 0.83 LGMN (0.41) KHKLGMNMAPTALDH1A1L3MBTL1
SCHEMBL7385472 0.83 LGMN (0.41) KHKLGMNMAPTALDH1A1L3MBTL1

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-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP claimed
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
EP-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed