SCHEMBL5721029

SCHEMBL5721029

C=CCC1(NC(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 7/20 0.40
TACR1 P25103 1/20 0.40
STS P08842 1/20 0.39
USP30 Q70CQ3 1/20 0.39
SYK P43405 1/20 0.39
YAP1 P46937 1/20 0.39

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
SCHEMBL1949230 0.94 BACE1 (0.41) BACE1OPRD1OPRK1MEN1KMT2A
SCHEMBL16825914 0.94 OPRD1 (0.45) BACE1OPRD1OPRK1MEN1KMT2A
SCHEMBL24940830 0.88 MEN1 (0.43) BACE1OPRD1OPRK1MEN1KMT2A
SCHEMBL30732662 0.87 MEN1 (0.42) BACE1OPRD1OPRK1MEN1KMT2A
SCHEMBL27139196 0.87 OPRD1 (0.43) BACE1OPRD1OPRK1MEN1KMT2A
SCHEMBL743654 0.87 TACR1 (0.43) BACE1OPRD1OPRK1MEN1KMT2A
SCHEMBL4475409 0.87 TGM2 (0.42) MEN1KMT2A
SCHEMBL30706936 0.87 PPIA (0.41) BACE1MEN1KMT2ASYK
SCHEMBL4780264 0.85 NPFFR1 (0.48) BACE1OPRD1OPRK1MEN1KMT2A
SCHEMBL4780268 0.85 NPFFR1 (0.48) BACE1OPRD1OPRK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1630162-A1 2-AMINOQUINOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-03-01 EP disclosed