SCHEMBL7274722

SCHEMBL7274722

NCc1ccc(N2CCN(c3ccc(C(CC(=O)O)CC(=O)O)cc3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.42
GABBR1 Q9UBS5 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
NFKB1 P19838 1/20 0.42
DRD3 P35462 1/20 0.42
BLM P54132 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL7273595 0.85 HDAC1 (0.39) RAB9AS1PR1ALDH1A1HDAC1
SCHEMBL7284239 0.82 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL7275491 0.79 S1PR1 (0.52) KMT2AMEN1LMNAITGB3ITGA2B
SCHEMBL7282628 0.77 SLC7A5 (0.50) KMT2AMEN1LMNACYP3A4ADORA3
SCHEMBL7281944 0.76 ITGB3 (0.49) KMT2AMEN1TSHRITGB3ITGA2B
SCHEMBL7274314 0.74 ITGB3 (0.48) LMNAITGB3ITGA2BS1PR1
SCHEMBL7275526 0.73 PLA2G10 (0.45) KMT2AMEN1ITGB3ITGA2BRAB9A
SCHEMBL7285127 0.71 S1PR1 (0.50) KMT2AMEN1ITGB3ITGA2BRAB9A
SCHEMBL7274054 0.71 S1PR1 (0.62) DRD3RAB9AS1PR1HDAC1
SCHEMBL7272781 0.70 S1PR1 (0.46) KMT2AMEN1ITGB3ITGA2BRAB9A

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