SCHEMBL11635461

SCHEMBL11635461

CC(C)N1CCOC(C(O)Oc2ccc3c(c2)CCC3)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM2B Q8NHM5 1/20 0.36
PKM P14618 1/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
SLC2A1 P11166 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR7 P34969 1/20 0.33

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
SCHEMBL11637871 0.83 HRH3 (0.36) HRH3KDM2BHTR2B
SCHEMBL11632635 0.76 HRH3 (0.38) HRH3SMN1; SMN2KDM2BPKMCHRM2
SCHEMBL11634087 0.72 HRH3 (0.40) HRH3SMN1; SMN2CHRM2HTR1ADRD3
SCHEMBL16370596 0.70 SMN1; SMN2 (0.51) HRH3SMN1; SMN2DRD3ALDH1A1POLB
SCHEMBL23114668 0.66 HRH3 (0.39) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL23108965 0.66 HRH3 (0.39) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL23104062 0.66 HRH3 (0.39) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL14075675 0.66 SMN1; SMN2 (0.46) SMN1; SMN2DRD3ALDH1A1POLBMAPT
SCHEMBL23104057 0.66 HRH3 (0.39) HRH3CHRM2HTR1ADRD3HTR2B
SCHEMBL23104055 0.66 HRH3 (0.39) HRH3CHRM2HTR1ADRD3HTR2B

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-4109088-A ANTIDEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1978-08-22 US disclosed