SCHEMBL11045805

SCHEMBL11045805

C=Cc1ccccc1C(C)NCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
OPRM1 P35372 3/20 0.34
DRD3 P35462 3/20 0.34
CASR P41180 3/20 0.34
HTT P42858 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
CYP2D6 P10635 2/20 0.34
CHRM1 P11229 2/20 0.34
ADRA2C P18825 2/20 0.34
HTR2C P28335 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 2/20 0.34
MLNR O43193 1/20 0.34
ABCB11 O95342 1/20 0.34
ADRB1 P08588 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL11031723 0.95 NAAA (0.35) POLBALDH1A1MAPTSLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL11031806 0.94 NAAA (0.35) POLBALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL9779275 0.94 NAAA (0.38) ALDH1A1SLC6A2SLC6A4OPRM1DRD3
SCHEMBL11034236 0.94 NAAA (0.38) ALDH1A1SLC6A2SLC6A4OPRM1DRD3
SCHEMBL11034500 0.94 NAAA (0.38) ALDH1A1SLC6A2SLC6A4OPRM1DRD3
SCHEMBL11032815 0.94 NAAA (0.38) ALDH1A1SLC6A2SLC6A4OPRM1DRD3
SCHEMBL8368617 0.90 SIGMAR1 (0.41) POLBALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL10629895 0.83 SIGMAR1 (0.38) POLBALDH1A1SLC6A2SLC6A4OPRM1
SCHEMBL22839077 0.83 CYP3A4 (0.34) POLBALDH1A1SLC6A2SLC6A4OPRM1
SCHEMBL10623925 0.80 ALDH1A1 (0.35) POLBALDH1A1MAPTSIGMAR1

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-4471079-A POLYMERIC DYE FROM POLYMER CONTAINING AMINO GROUPS AND ANIONIC OR REACTIVE DYE PILOT MAN-NEN HITSU KABUSHIKI KAISHA (JP) 1984-09-11 US disclosed