SCHEMBL22540331

SCHEMBL22540331

C=C(CCC)N1CCC(C)C(O)C1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
GBA1 P04062 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL21782877 0.84 DPP4 (0.41) MEN1POLBMAPTKMT2A
SCHEMBL21782914 0.77 CA12 (0.44) MEN1POLBMAPTKMT2A
SCHEMBL25824843 0.76 NPC1 (0.47) MEN1POLBMAPTKMT2ANPC1
SCHEMBL12847052 0.71 CHRNB2 (0.43) MEN1POLBMAPTKMT2ANPC1
SCHEMBL19934605 0.71 GAA (0.31) MAPT
SCHEMBL18738461 0.70 CHRM1 (0.38) MEN1POLBMAPTKMT2A
SCHEMBL26495122 0.69 NPC1 (0.32) MEN1POLBMAPTKMT2ANPC1
SCHEMBL14224955 0.69 MEN1 (0.47) MEN1POLBMAPTKMT2ANPC1
SCHEMBL21195937 0.68 CA1 (0.34) MEN1KMT2ANPC1
SCHEMBL18497723 0.68 CA1 (0.34) MEN1KMT2ANPC1

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-3722283-A1 3-(CARBOXYETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed