SCHEMBL22301684

SCHEMBL22301684

CCCCN1CCC(CCN2CCN(CC)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.53
GNAI3 P08754 6/20 0.47
GNAI1 P63096 6/20 0.47
HRH3 Q9Y5N1 2/20 0.43
KCNH2 Q12809 1/20 0.43
CHRM1 P11229 3/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
DRD2 P14416 2/20 0.41
CHRM3 P20309 2/20 0.41
DRD4 P21917 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HRH1 P35367 1/20 0.41
ADRB2 P07550 1/20 0.39

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
SCHEMBL22520648 0.90 HRH3 (0.44) GNAO1GNAI3GNAI1HRH3
SCHEMBL13061302 0.85 GNAO1 (0.42) GNAO1GNAI3GNAI1HRH3ACHE
SCHEMBL17424060 0.84 GNAO1 (0.59) GNAO1GNAI3GNAI1HRH3KCNH2
SCHEMBL14380398 0.84 GNAO1 (0.59) GNAO1GNAI3GNAI1HRH3KCNH2
SCHEMBL24754307 0.82 NCF1 (0.45) GNAO1GNAI3GNAI1HRH3ACHE
Fluoride SCHEMBL30212677 0.82 GNAO1 (0.57) GNAO1GNAI3GNAI1HRH3KCNH2
SCHEMBL7908231 0.82 CYP1A2 (0.46) GNAO1HRH3
SCHEMBL12112146 0.82 CYP1A2 (0.54) GNAO1GNAI3GNAI1HRH3KCNH2
SCHEMBL84814 0.82 GNAI3 (0.52) GNAO1GNAI3GNAI1DRD2DRD3
SCHEMBL6663038 0.82 GNAI3 (0.52) GNAO1GNAI3GNAI1DRD2DRD3

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-2020160193-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed