SCHEMBL11544443

SCHEMBL11544443

CN(C)CCC1=CC2(CCCC2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.40
CHRM2 P08172 6/20 0.40
CHRM1 P11229 6/20 0.40
CHRM3 P20309 6/20 0.40
SLC6A4 P31645 4/20 0.40
HRH1 P35367 4/20 0.40
HTR1A P08908 3/20 0.40
DRD2 P14416 3/20 0.40
ADRA2C P18825 3/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
ADRA1A P35348 3/20 0.40
DRD3 P35462 3/20 0.40
HTR2B P41595 3/20 0.40
KCNH2 Q12809 3/20 0.40
ADRB1 P08588 2/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
DRD1 P21728 2/20 0.40
OPRM1 P35372 2/20 0.40

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
SCHEMBL11545456 0.91 SLC6A2 (0.38) SLC6A2CHRM2CHRM1CHRM3SLC6A4
SCHEMBL11543869 0.90 SLC6A2 (0.38) SLC6A2CHRM2CHRM1CHRM3SLC6A4
SCHEMBL11549475 0.80 TAAR1 (0.38) SLC6A2CHRM2CHRM1CHRM3SLC6A4
SCHEMBL11544762 0.80 SLC6A4 (0.34) SLC6A2SLC6A4HTR2ATAAR1SLC6A3
SCHEMBL11543909 0.79 TAAR1 (0.37) SLC6A2CHRM2CHRM1CHRM3SLC6A4
SCHEMBL11544153 0.78
SCHEMBL11545483 0.77 SLC6A2 (0.33) SLC6A2CHRM2CHRM1CHRM3SLC6A4
SCHEMBL11544913 0.77 MEN1 (0.39) SLC6A2CHRM2CHRM1CHRM3SLC6A4
SCHEMBL11548561 0.76 SLC6A4 (0.35) SLC6A2CHRM2CHRM1CHRM3SLC6A4
SCHEMBL11541733 0.75 MEN1 (0.38) SLC6A2CHRM2CHRM1CHRM3SLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172093-A Pharmacodynamically active indan derivatives AB KABI (SE) 1979-10-23 US claimed
US-4172093-A Pharmacodynamically active indan derivatives AB KABI (SE) 1979-10-23 US disclosed