SCHEMBL21546331

SCHEMBL21546331

COCCN1CCC(C2CCCCCCCC2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
HTR7 P34969 9/20 0.41
HTR1A P08908 6/20 0.41
HRH1 P35367 2/20 0.41
DRD3 P35462 2/20 0.41
HTR2B P41595 2/20 0.41
HTR2A P28223 3/20 0.39
DRD2 P14416 2/20 0.39
NPC1 O15118 1/20 0.39
GBA1 P04062 1/20 0.36
NR4A2 P43354 1/20 0.36
HTR2C P28335 1/20 0.35
KDM2B Q8NHM5 1/20 0.34

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
SCHEMBL21147732 1.00 HRH3 (0.47) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL21148138 1.00 HRH3 (0.47) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL17263959 0.98 HRH3 (0.48) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL13394402 0.95 HRH3 (0.44) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL96768 0.95 HRH3 (0.44) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL7740824 0.91 NPC1 (0.47) HRH3NPC1GBA1
SCHEMBL96616 0.91 HRH3 (0.40) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL13568869 0.91 HRH3 (0.40) HRH3HTR7HTR1AHRH1DRD3
SCHEMBL96767 0.87 GBA1 (0.44) HRH3HTR7HTR1AHTR2ADRD2
SCHEMBL13394401 0.87 GBA1 (0.44) HRH3HTR7HTR1AHTR2ADRD2

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
EP-3564236-A1 PROCESS FOR PREPARING 4-SUBSTITUTED-1-(2-METHOXYETHYL)PYRROLIDIN-3-AMINE DERIVATIVES Array Biopharma, Inc. (US) 2019-11-06 EP disclosed