SCHEMBL382582

SCHEMBL382582

O=C(O)c1ccc(N2CCCC2Nc2ncccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
HCAR3 P49019 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CASR P41180 1/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
FFAR1 O14842 2/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
LCK P06239 1/20 0.36
JAK3 P52333 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
PORCN Q9H237 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL7053331 0.96 HCAR3 (0.40) USP2HCAR3SMN1; SMN2KDM4EALDH1A1
SCHEMBL7467119 0.95 GAA (0.40) USP2HCAR3SMN1; SMN2KDM4EALDH1A1
SCHEMBL7461740 0.84 CDK1 (0.43) HCAR3KDM4EALDH1A1LCKCDK4
SCHEMBL6497602 0.83 MEN1 (0.49) USP2SMN1; SMN2KDM4EALDH1A1CDK4
SCHEMBL382148 0.83 MAPT (0.46) USP2SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL7054704 0.79 ALDH1A1 (0.45) SMN1; SMN2KDM4EALDH1A1
SCHEMBL7464598 0.79 FFAR1 (0.44) FFAR1
SCHEMBL7459020 0.79 ALDH1A1 (0.38) KDM4EALDH1A1CDK4CCND1
SCHEMBL7462635 0.78 RORC (0.38) HCAR3KDM4EALDH1A1HDAC8HDAC6
SCHEMBL7468832 0.78 TDP1 (0.39) HCAR3SMN1; SMN2KDM4EALDH1A1GAA

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-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed