SCHEMBL11065657

SCHEMBL11065657

c1cc2ccc3c(c2o1)CC(N1CCCCC1)CC3

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.51
HTR1A P08908 5/20 0.49
DRD3 P35462 4/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR2A P28223 4/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
HTR7 P34969 2/20 0.37
P4HB P07237 1/20 0.37
DRD2 P14416 1/20 0.33
HRH1 P35367 1/20 0.33
GRIN2B Q13224 1/20 0.33
DRD4 P21917 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
SCHEMBL10487277 0.74 DRD3 (0.56) HTR1ADRD3CHRM2CHRM1CHRM3
SCHEMBL4078348 0.69 HTR2A (0.66) HTR1ADRD3CHRM2CHRM1CHRM3
SCHEMBL2700558 0.69 HTR2A (0.66) HTR1ADRD3CHRM2CHRM1CHRM3
SCHEMBL7932835 0.69 HTR7 (0.69) HTR1DHTR1ACHRM2CHRM1CHRM3
SCHEMBL11072209 0.69 HTR7 (0.69) HTR1DHTR1ACHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL7926756 0.68 HTR7 (0.67) HTR1DHTR1ACHRM2CHRM1CHRM3
SCHEMBL14591377 0.67 HTR1D (0.51) HTR1DHTR1AHTR2CHTR2BHTR7
SCHEMBL7935409 0.67 HTR1D (0.51) HTR1DHTR1AHTR7GRIN2B
SCHEMBL14591337 0.67 HTR1D (0.51) HTR1DHTR1AHTR2CHTR2BHTR7
SCHEMBL8677765 0.67 SIGMAR1 (0.54) HTR1DDRD3CHRM2CHRM1CHRM3

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-4470990-A 6,7,8,9-Tetrahydronaphtho(1,2-B)furan-8-amine derivatives and their use as dopamine receptor stimulants AYERST, MCKENNA & HARRISON INC. (CA) 1984-09-11 US disclosed