SCHEMBL8218003

SCHEMBL8218003

CCCC(=O)N1CCC(N2CCC(N)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.54
GNAO1 P09471 3/20 0.54
GNAI1 P63096 3/20 0.54
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
CHRM1 P11229 2/20 0.40
CACNA1B Q00975 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
NPC1 O15118 1/20 0.37

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
SCHEMBL13459961 0.84 GNAI3 (0.58) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL14275539 0.84 GNAI3 (0.58) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL1562717 0.84 GNAI3 (0.72) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL3007222 0.77 L3MBTL3 (0.41) GNAI3GNAO1GNAI1CHRM1CACNA1B
SCHEMBL14614943 0.76 MEN1 (0.59) CHRM1MEN1KMT2ACHRM2CHRM3
SCHEMBL12945382 0.75 CHRNB2 (0.50) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL13059409 0.75 CHRNB2 (0.50) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL8223865 0.75 CHRM1 (0.42) GNAI3GNAO1GNAI1CHRNB2CHRNA3
SCHEMBL13459406 0.74 GNAI3 (0.69) GNAI3GNAO1GNAI1CACNA1BMEN1
SCHEMBL14275799 0.74 MEN1 (0.55) GNAI3GNAO1GNAI1CHRNB2CHRNA3

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-2007142583-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. ASTRAZENECA AB (SE) 2007-12-13 WO disclosed