SCHEMBL9752857

SCHEMBL9752857

CCOC(=O)C1(N)CCCCC1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 2/20 0.46
RECQL P46063 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KCNA3 P22001 1/20 0.43
NPY1R P25929 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
OPRM1 P35372 1/20 0.42
L3MBTL1 Q9Y468 2/20 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
SCHEMBL9752704 0.89 MAPT (0.42) LMNAMAPTPOLBPKMKDM4E
SCHEMBL4862038 0.83 TAAR1 (0.40) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL10418940 0.80 DDB1 (0.42) ALDH1A1
SCHEMBL9752802 0.76 ARG1 (0.42) LMNAMAPTPOLBKDM4EKMT2A
SCHEMBL17350953 0.74 SLC18A2 (0.44)
SCHEMBL9753055 0.74 ARG1 (0.41) LMNAMAPTPOLBKMT2AMEN1
SCHEMBL10418525 0.73 RAB9A (0.40) LMNAMAPTPOLBKDM4ENPC1
SCHEMBL28592319 0.72 ARG1 (0.39) POLBKDM4EKMT2AMEN1ALDH1A1
SCHEMBL4558511 0.71 MEN1 (0.40) KMT2AMEN1OPRM1
SCHEMBL545631 0.71 L3MBTL1 (0.41) LMNAMAPTPOLBPKMKDM4E

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
WO-1991007378-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-05-30 WO disclosed