SCHEMBL7519797

SCHEMBL7519797

COC1(CCN)CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
RORC P51449 3/20 0.43
HTT P42858 1/20 0.43
ENPP2 Q13822 1/20 0.43
ATXN2 Q99700 1/20 0.43
ACACB O00763 1/20 0.43
KDM1A O60341 1/20 0.42
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 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
SCHEMBL25973920 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL19779323 0.87 MEN1 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31566707 0.87 MEN1 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31567033 0.87 MEN1 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL23578952 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL7514805 0.82 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4828154 0.82 MEN1 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL29308991 0.82 MEN1 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL7514544 0.81 KDM1A (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30289355 0.81 MEN1 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 WO disclosed