SCHEMBL9865525

SCHEMBL9865525

O=C1CCC(CN2CCOCC2)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
OPRD1 P41143 1/20 0.39
HTR2B P41595 1/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
DPP4 P27487 1/20 0.36
DDB1 Q16531 3/20 0.36
CRBN Q96SW2 3/20 0.36

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
SCHEMBL1775870 1.00 GAA (0.42) GAAADRA2ADRD2ADRA2BADRA2C
SCHEMBL9865532 1.00 GAA (0.42) GAAADRA2ADRD2ADRA2BADRA2C
SCHEMBL6977457 0.89 GAA (0.40) GAAADRA2ADRD2ADRA2BADRA2C
SCHEMBL1777323 0.84 CHRM5 (0.38) ADRA2COPRD1DDB1CRBN
SCHEMBL1778000 0.82 CHRM5 (0.41) ADRA2COPRD1DDB1CRBN
SCHEMBL1776075 0.82 CHRM5 (0.41) ADRA2COPRD1DDB1CRBN
SCHEMBL1776362 0.82 CHRM5 (0.41) ADRA2COPRD1DDB1CRBN
SCHEMBL27738412 0.82 CHRM5 (0.41) ADRA2COPRD1DDB1CRBN
SCHEMBL19044546 0.81 DDB1 (0.38) DDB1CRBN
SCHEMBL1777778 0.79 ACHE (0.42) DRD2DRD3

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-5066651-A Sulfonyl group attached to nitrogen, Alzheimer*s disease, antihypoxic, antiischemic, memory lapses ADIR ET COMPAGNIE (FR) 1991-11-19 US disclosed