SCHEMBL3950776

SCHEMBL3950776

O=CNCCCC1CCN(CCCC2CCOC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
NAMPT P43490 2/20 0.36
GNAO1 P09471 3/20 0.35
GNAI3 P08754 2/20 0.35
GNAI1 P63096 2/20 0.35
DRD4 P21917 3/20 0.33
CHRM2 P08172 4/20 0.33
CHRM4 P08173 4/20 0.33
CHRM5 P08912 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM3 P20309 4/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
GAA P10253 1/20 0.32
PAOX Q6QHF9 1/20 0.32
S1PR5 Q9H228 1/20 0.30
DRD2 P14416 2/20 0.30
DRD3 P35462 2/20 0.30
LMNA P02545 1/20 0.30
ADRB2 P07550 1/20 0.30

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
SCHEMBL3950701 0.95 NAMPT (0.36) ALDH1A1NAMPTGNAO1GNAI3GNAI1
SCHEMBL3949394 0.93 ALDH1A1 (0.41) ALDH1A1GNAO1GNAI3GNAI1CHRM2
SCHEMBL3948276 0.92 ALDH1A1 (0.38) ALDH1A1NAMPTGNAO1GNAI3GNAI1
SCHEMBL3950841 0.88 ALDH1A1 (0.39) ALDH1A1GNAO1GNAI3GNAI1CHRM2
SCHEMBL3950617 0.86 ALDH1A1 (0.38) ALDH1A1NAMPTGNAO1GNAI3GNAI1
SCHEMBL3947870 0.86 ALDH1A1 (0.45) ALDH1A1GNAO1GNAI3GNAI1GAA
SCHEMBL3949683 0.85 CHRM1 (0.33) ALDH1A1NAMPTGNAO1DRD4CHRM2
SCHEMBL3950772 0.82 ALDH1A1 (0.36) ALDH1A1NAMPTGNAO1DRD4CHRM2
SCHEMBL3951167 0.81 DRD2 (0.39) ALDH1A1GNAO1GNAI3GNAI1DRD4
SCHEMBL3954270 0.81 ALDH1A1 (0.45) ALDH1A1GNAO1GNAI3GNAI1GAA

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