SCHEMBL7273595

SCHEMBL7273595

COC(=O)CC(CC(=O)OC)c1ccc(N2CCN(c3ccc(CN)cc3)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
F2 P00734 6/20 0.38
F10 P00742 6/20 0.38
PRSS1 P07477 5/20 0.38
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
TNF P01375 2/20 0.35
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
PKM P14618 1/20 0.34
S1PR1 P21453 1/20 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
SCHEMBL7274722 0.85 GABBR2 (0.42) HDAC1ALDH1A1RAB9AS1PR1
SCHEMBL7282206 0.83 F10 (0.47) F2F10PRSS1
SCHEMBL7281838 0.81 HRH3 (0.44) HDAC1LOXL2CTSGCMA1MAPT
Hydrochloric Acid SCHEMBL7282229 0.80 HRH3 (0.43) HDAC1LOXL2CTSGCMA1MAPT
Hydrochloric Acid SCHEMBL7275507 0.78 MAPT (0.45) HDAC1LOXL2ALDH1A1RAB9AMAPT
Hydrochloric Acid SCHEMBL7272819 0.76 HRH3 (0.44) HDAC1LOXL2F2F10PRSS1
Hydrochloric Acid SCHEMBL7279879 0.76 PTGS2 (0.43) HDAC1LOXL2ALDH1A1RAB9A
SCHEMBL7275290 0.75 SIRT2 (0.42) HDAC1LOXL2F2F10PRSS1
Hydrochloric Acid SCHEMBL7275455 0.74 HRH3 (0.40) HDAC1ALDH1A1MAPTS1PR1
SCHEMBL7283860 0.74 S1PR1 (0.49) HDAC1RAB9APKMS1PR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 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
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US 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