SCHEMBL25444591

SCHEMBL25444591

CCCCCCN1CCC(CCCC2CCN(CCCCC)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 9/20 0.70
GNAI3 P08754 8/20 0.61
GNAI1 P63096 8/20 0.61
KCNH2 Q12809 2/20 0.57
HRH3 Q9Y5N1 1/20 0.49
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD2 P14416 2/20 0.46
CHRM3 P20309 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL17424035 0.98 GNAO1 (0.67) GNAO1GNAI3GNAI1KCNH2HRH3
SCHEMBL25121970 0.96 GNAO1 (0.70) GNAO1GNAI3GNAI1KCNH2HRH3
SCHEMBL19040040 0.94 GNAO1 (0.69) GNAO1GNAI3GNAI1KCNH2HRH3
Fluoride SCHEMBL29252667 0.94 GNAO1 (0.68) GNAO1GNAI3GNAI1KCNH2HRH3
Hydrochloric Acid SCHEMBL30330489 0.94 GNAO1 (0.73) GNAO1GNAI3GNAI1KCNH2HRH3
Hydrochloric Acid SCHEMBL30330575 0.94 GNAO1 (0.73) GNAO1GNAI3GNAI1KCNH2HRH3
Fluoride SCHEMBL29252484 0.94 GNAO1 (0.68) GNAO1GNAI3GNAI1KCNH2HRH3
Fluoride SCHEMBL29252449 0.94 GNAO1 (0.68) GNAO1GNAI3GNAI1KCNH2HRH3
Fluoride SCHEMBL29252689 0.94 GNAO1 (0.68) GNAO1GNAI3GNAI1KCNH2HRH3
SCHEMBL7733753 0.92 GNAO1 (0.70) GNAO1GNAI3GNAI1KCNH2HRH3

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
US-20230142238-A1 COMPOSITION FOR COPPER BUMP ELECTRODEPOSITION COMPRISING A POLYAMINOAMIDE TYPE LEVELING AGENT BASF SE (DE) 2023-05-11 US disclosed