SCHEMBL7274584

SCHEMBL7274584

COC(=O)COc1ccc(N2CCN(c3ccc(C#N)cc3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
AOC3 Q16853 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CYP2D6 P10635 1/20 0.42
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL2163526 0.84 L3MBTL1 (0.57) MAPTALDH1A1L3MBTL1GAAKMT2A
SCHEMBL7282605 0.81 CYP11B1 (0.50) MAPTALDH1A1SMN1; SMN2CYP2D6HRH3
Hydrochloric Acid SCHEMBL7275507 0.81 MAPT (0.45) MAPTALDH1A1SMN1; SMN2GAAFAAH
SCHEMBL7275746 0.81 MAPT (0.44) MAPTALDH1A1SMN1; SMN2FAAH
Hydrochloric Acid SCHEMBL8571479 0.81 CYP11B1 (0.49) MAPTALDH1A1SMN1; SMN2CYP2D6HRH3
SCHEMBL7282021 0.80 CTSG (0.40) MAPTALDH1A1KMT2A
SCHEMBL7275164 0.80 PPARG (0.40) ALDH1A1CYP2D6HRH1HRH3
Hydrochloric Acid SCHEMBL7274073 0.80 ITGB3 (0.55) MAPTPOLB
SCHEMBL7272668 0.80 CYP11B1 (0.46) ALDH1A1HRH1
SCHEMBL25247571 0.79 MAPT (0.47) MAPTALDH1A1SMN1; SMN2GAAFAAH

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