SCHEMBL7385472

SCHEMBL7385472

CCOC(=O)[C@H]1CC[C@H](N2CCN(c3ccc(C4(C)CCNCC4)cc3)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.41
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KHK P50053 3/20 0.38
ALDH1A1 P00352 1/20 0.37
F10 P00742 2/20 0.37
ITGB3 P05106 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
ITGA2B P08514 2/20 0.37
PRSS3 P35030 2/20 0.37
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7385478 1.00 LGMN (0.41) LGMNMAPTL3MBTL1KHKALDH1A1
Hydrochloric Acid SCHEMBL7394629 0.99 LGMN (0.40) LGMNMAPTL3MBTL1KHKALDH1A1
SCHEMBL7394722 0.86 KHK (0.41) KHKF10PRSS1PRSS2PRSS3
SCHEMBL7394725 0.86 KHK (0.41) KHKF10PRSS1PRSS2PRSS3
SCHEMBL7390889 0.83 KHK (0.41) LGMNMAPTL3MBTL1KHKALDH1A1
SCHEMBL7390891 0.83 KHK (0.41) LGMNMAPTL3MBTL1KHKALDH1A1
Hydrochloric Acid SCHEMBL7391597 0.83 KHK (0.41) LGMNMAPTL3MBTL1KHKALDH1A1
Hydrochloric Acid SCHEMBL7391497 0.76 KHK (0.39) KHKF10
SCHEMBL8417020 0.74 RORC (0.38) MAPTALDH1A1F10
SCHEMBL8417022 0.74 RORC (0.38) MAPTALDH1A1F10

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