SCHEMBL3955872

SCHEMBL3955872

O=CNCCC1CCN(CCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.41
GNAO1 P09471 2/20 0.41
GNAI1 P63096 2/20 0.41
SLC18A3 Q16572 1/20 0.36
SLC6A5 Q9Y345 1/20 0.34
ACHE P22303 3/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
HTR4 Q13639 1/20 0.33
BCHE P06276 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33

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
SCHEMBL3948572 0.90 GNAO1 (0.42) GNAI3GNAO1GNAI1SLC6A5ACHE
SCHEMBL3949738 0.90 GNAI3 (0.42) GNAI3GNAO1GNAI1SLC18A3SLC6A5
SCHEMBL3947113 0.83 GNAO1 (0.47) GNAI3GNAO1GNAI1ACHECARM1
SCHEMBL3950651 0.83 GNAI3 (0.41) GNAI3GNAO1GNAI1SLC6A5ACHE
SCHEMBL3956282 0.81 SLC18A3 (0.39) SLC18A3ACHEPKMKMT2ACHRM2
SCHEMBL3947858 0.79 EPHX1 (0.40) GNAI3GNAO1GNAI1HTR4CHRM4
SCHEMBL3947826 0.79 NCF1 (0.42) GNAI3GNAO1GNAI1ACHE
SCHEMBL3956952 0.78 CHRM1 (0.38) GNAO1SLC18A3ACHECHRM2CHRM4
SCHEMBL17754051 0.77 KDM1A (0.34) GNAI3GNAO1GNAI1ACHECHRM4
SCHEMBL3955867 0.77 KMT2A (0.36) SLC18A3SLC6A5ACHEPKMKMT2A

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-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed