SCHEMBL7284261

SCHEMBL7284261

CCOC(=O)CCN1CCCN(c2ccc(-c3ccc(C#N)cc3)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.44
HRH1 P35367 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
USP14 P54578 4/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
S1PR1 P21453 1/20 0.39
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 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
SCHEMBL7281200 0.83 S1PR1 (0.44) HRH2HRH1HRH3USP14S1PR1
SCHEMBL7403651 0.83 SCN9A (0.41) HRH1HRH3S1PR1DRD2DRD3
SCHEMBL7281015 0.83 S1PR1 (0.43) KDM4EPOLBS1PR1DRD2DRD3
SCHEMBL7280220 0.82 ITGB3 (0.50) POLBS1PR1RAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL7273435 0.82 ITGB3 (0.49) POLBS1PR1RAB9ANPC1LMNA
SCHEMBL7283076 0.81 RAB9A (0.55) HRH2HRH1HRH3USP14KDM4E
SCHEMBL7275181 0.81 KDM4E (0.41) HRH2HRH1HRH3KDM4EPOLB
SCHEMBL7273978 0.79 KMT2A (0.48) HRH2HRH1HRH3USP14KDM4E
SCHEMBL7275516 0.78 S1PR1 (0.55) S1PR1DRD2DRD3PRMT5WDR77
SCHEMBL8558181 0.76 S1PR1 (0.50) KDM4ES1PR1RAB9AMEN1KMT2A

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 8 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-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP 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
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed