SCHEMBL11257136

SCHEMBL11257136

CN(C)CCN1CCC(c2noc3ccccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.64
HTR2A P28223 12/20 0.64
HTR7 P34969 3/20 0.64
KCNH2 Q12809 1/20 0.57
HTR1A P08908 9/20 0.57

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
SCHEMBL11220455 0.93 DRD2 (0.63) DRD2HTR2AHTR7KCNH2HTR1A
Fumaric Acid SCHEMBL10634678 0.90 DRD2 (0.63) DRD2HTR2AHTR7KCNH2HTR1A
Fumaric Acid SCHEMBL10634692 0.90 DRD2 (0.63) DRD2HTR2AHTR7KCNH2HTR1A
SCHEMBL11239226 0.88 DRD2 (0.68) DRD2HTR2AHTR7KCNH2HTR1A
SCHEMBL84566 0.86 DRD2 (0.70) DRD2HTR2AHTR7KCNH2HTR1A
Fumaric Acid SCHEMBL10637261 0.84 DRD2 (0.60) DRD2HTR2AHTR7KCNH2HTR1A
Fumaric Acid SCHEMBL10637273 0.84 DRD2 (0.60) DRD2HTR2AHTR7KCNH2HTR1A
SCHEMBL85060 0.84 DRD2 (0.61) DRD2HTR2AHTR7KCNH2HTR1A
SCHEMBL22048329 0.83 DRD2 (0.57) DRD2HTR2AHTR7HTR1A
SCHEMBL21678218 0.83 DRD2 (0.58) DRD2HTR2AHTR7HTR1A

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-4355037-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS (US) 1982-10-19 US claimed