SCHEMBL11545389

SCHEMBL11545389

CC(CN(C)C)C1=CC2(CCCC2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.36
SLC6A2 P23975 9/20 0.36
SLC6A3 Q01959 5/20 0.36
HRH3 Q9Y5N1 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
OPRM1 P35372 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11544440 0.81 SLC6A3 (0.38) SLC6A4SLC6A2SLC6A3
SCHEMBL11544250 0.80 TAAR1 (0.39) SLC6A4SLC6A2SLC6A3
SCHEMBL11545483 0.78 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3HRH3HTR2A
SCHEMBL11544758 0.77 SLC6A3 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL11548561 0.77 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL11291996 0.76 SLC6A3 (0.33) SLC6A4SLC6A2SLC6A3
SCHEMBL11542300 0.75 HRH3 (0.33) SLC6A4SLC6A3HRH3
SCHEMBL11543907 0.75 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3
SCHEMBL11295572 0.74 LMNA (0.37)
SCHEMBL11544999 0.72 AKR1C1 (0.37) TDP1

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