SCHEMBL7467006

SCHEMBL7467006

NCc1ccc(N2CC(C(=O)N3CCN(CCC(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
MAOA P21397 1/20 0.35
KMT2A Q03164 3/20 0.34
F10 P00742 1/20 0.34
TSHR P16473 2/20 0.34
S1PR1 P21453 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
GRM2 Q14416 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
AIMP2 Q13155 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
SCHEMBL7457894 0.89 MAOA (0.36) ITGB3ITGA2BMAOAKMT2AF10
SCHEMBL7457521 0.86 ITGB3 (0.51) ITGB3ITGA2BF10
SCHEMBL7461829 0.82 ITGB3 (0.45) ITGB3ITGA2BMAOAF10
SCHEMBL7464219 0.81 SIGMAR1 (0.41) KMT2AF10HTR1AHTR7SIGMAR1
Water SCHEMBL7461996 0.80 SIGMAR1 (0.41) KMT2AF10HTR1AHTR7SIGMAR1
SCHEMBL8891141 0.80 ITGB3 (0.40) ITGB3ITGA2BKMT2AGRM2SIGMAR1
SCHEMBL7523776 0.80 ITGB3 (0.38) ITGB3ITGA2BMAOAF10
SCHEMBL7461834 0.79 MAOA (0.37) ITGB3ITGA2BMAOAF10GRM2
SCHEMBL7461978 0.78 MAOA (0.44) ITGB3ITGA2BMAOAF10GRM2
Ether SCHEMBL7461990 0.78 SIGMAR1 (0.39) ITGB3ITGA2BKMT2AF10SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697408-B1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GMBH (DE) 2002-01-23 EP disclosed
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed
EP-0697408-A1 1 substituted-phenyl-oxazolidene-2-one derivatives and their use as adhesion-receptor antagonists MERCK PATENT GmbH (DE) 1996-02-21 EP disclosed