SCHEMBL8593790

SCHEMBL8593790

CCN(CC)C(=O)[C@H](Cc1ccccc1)N(C=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 6/20 0.37
▸ MCL1 Q07820 5/20 0.37
▸ BCL2 P10415 4/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ PDPK1 O15530 1/20 0.33
▸ SLC5A1 P13866 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PPP1CA P62136 1/20 0.33
▸ MAPK8 P45983 1/20 0.33

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
SCHEMBL8590999 0.89 PTPN2 (0.40) MDM2MCL1BCL2CA1CA2
SCHEMBL8593794 0.76 CACNA1G (0.49) MDM2MCL1BCL2FAAHCACNA1G
SCHEMBL8301692 0.76 CACNA1G (0.49) MDM2MCL1BCL2FAAHCACNA1G
SCHEMBL8591003 0.66 CACNA1G (0.55) MDM2MCL1BCL2FAAHCACNA1G
SCHEMBL8591001 0.66 CACNA1G (0.55) MDM2MCL1BCL2FAAHCACNA1G
SCHEMBL8588669 0.66 MDM2 (0.42) MDM2MCL1BCL2CA9FAAH
SCHEMBL8297233 0.66 MDM2 (0.46) MDM2MCL1BCL2FAAHCACNA1G
SCHEMBL8591058 0.65 RPA1 (0.73) MDM2MCL1BCL2PPP1CA
SCHEMBL8592529 0.65 GCGR (0.40) PTPN2PTPN1CDC25B
SCHEMBL27882807 0.63 RAB9A (0.71) CA1CA2CA9PDPK1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744491-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 — — US disclosed
US-5744493-A POSSESS ACTIVITY WITH RESPECT TO THE CENTRAL NERVOUS SYSTEM, THE CARDIOVASCULAR SYSTEM AND THE GASTROINTESTINAL SYSTEM SANOFI (FR) 1998-04-28 — — US disclosed
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