SCHEMBL7280958

SCHEMBL7280958

COC(=O)CCc1ccc(N2CCN(c3ccc(C(=N)NC(=O)OCC(C)C)cc3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.40
MASP2 O00187 1/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
S1PR1 P21453 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MAPT P10636 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
SCHEMBL7274577 0.91 HDAC1 (0.42) HDAC1ADRB2ADRB1HRH3S1PR1
SCHEMBL7281398 0.90 HDAC1 (0.39) HDAC1MASP2HRH3S1PR1ITGB3
SCHEMBL7275720 0.88 HDAC1 (0.39) HDAC1ADRB2ADRB1HRH3S1PR1
SCHEMBL8911203 0.87 HDAC1 (0.39) HDAC1ADRB2ADRB1HRH3S1PR1
SCHEMBL7281441 0.87 HDAC1 (0.42) HDAC1MASP2MAPT
SCHEMBL7285022 0.85 CYP4F2 (0.44) HDAC1MASP2HRH3S1PR1ITGB3
SCHEMBL7283797 0.83 HDAC1 (0.43) HDAC1HRH3S1PR1ITGB3ITGA2B
SCHEMBL7276092 0.81 ITGB3 (0.46) HDAC1MASP2S1PR1ITGB3ITGA2B
SCHEMBL7280965 0.80 ITGB3 (0.36) HDAC1ADRB2ADRB1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7272547 0.79 ITGB3 (0.53) HDAC1HRH3ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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