SCHEMBL3955867

SCHEMBL3955867

O=[C]NCCC1CCN(CCO)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
SLC18A3 Q16572 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ACHE P22303 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
HSD11B1 P28845 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL3948571 0.90 CHRM4 (0.38) ALDH1A1SMYD3SLC6A5ACHECHRM2
SCHEMBL3949734 0.90 SIGMAR1 (0.37) KMT2APKMSLC18A3ALDH1A1KDM4E
SCHEMBL3947111 0.83 GNAO1 (0.39) ALDH1A1CARM1PRMT6CHRM2CHRM4
SCHEMBL3950649 0.83 CHRM1 (0.40) ALDH1A1SLC6A5ACHECHRM2CHRM4
SCHEMBL3949628 0.80 ALDH1A1 (0.43) KMT2APKMALDH1A1KDM4ELMNA
SCHEMBL3947855 0.79 HRH3 (0.41) KMT2AKDM4ESMYD3SMN1; SMN2HSD11B1
SCHEMBL3947825 0.79 NCF1 (0.42) ACHE
SCHEMBL3956278 0.77 SLC18A3 (0.39) KMT2APKMSLC18A3ALDH1A1KDM4E
SCHEMBL3954098 0.77 ALDH1A1 (0.41) KMT2APKMALDH1A1KDM4ELMNA
SCHEMBL3955872 0.77 GNAI3 (0.41) KMT2APKMSLC18A3SLC6A5ACHE

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