SCHEMBL3663914

SCHEMBL3663914

CCCCC(=O)N1CCC(C)C1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.81
KMT2A Q03164 3/20 0.81
POLB P06746 1/20 0.81
MAPT P10636 1/20 0.81
NPC1 O15118 1/20 0.65
GNAI3 P08754 9/20 0.53
GNAI1 P63096 9/20 0.53
GNAO1 P09471 8/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL20034969 0.93 MEN1 (0.71) MEN1KMT2APOLBMAPTNPC1
SCHEMBL29191667 0.90 KMT2A (1.00) MEN1KMT2APOLBMAPTNPC1
SCHEMBL10274495 0.89 MEN1 (0.65) MEN1KMT2APOLBMAPTNPC1
SCHEMBL9062091 0.89 NPC1 (0.81) MEN1KMT2APOLBMAPTNPC1
SCHEMBL19528315 0.89 MEN1 (0.65) MEN1KMT2APOLBMAPTNPC1
SCHEMBL24393443 0.87 MEN1 (0.88) MEN1KMT2APOLBMAPTNPC1
SCHEMBL12895626 0.85 MEN1 (0.69) MEN1KMT2APOLBMAPTNPC1
SCHEMBL13663708 0.84 NPC1 (0.62) MEN1KMT2APOLBMAPTNPC1
SCHEMBL21945132 0.84 NPC1 (0.68) MEN1KMT2APOLBMAPTNPC1
SCHEMBL25934640 0.84 NPC1 (0.79) MEN1KMT2APOLBMAPTNPC1

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-2231657-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY MODULATORS Abbott Laboratories (US) 2010-09-29 EP disclosed
WO-2009067579-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY MODULATORS ABBOTT LABORATORIES (US) 2009-05-28 WO disclosed