SCHEMBL8894044

SCHEMBL8894044

[CH2]CN(CC)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.60
DRD3 P35462 3/20 0.60
KCNH2 Q12809 2/20 0.60
CHRM2 P08172 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60
CHRM1 P11229 1/20 0.60
DRD1 P21728 1/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
ADRA1A P35348 1/20 0.60
SLC6A3 Q01959 1/20 0.60
AOC3 Q16853 2/20 0.55
TAAR1 Q96RJ0 1/20 0.52
BCHE P06276 1/20 0.49
OPRK1 P41145 4/20 0.47
OPRD1 P41143 3/20 0.47
DRD2 P14416 2/20 0.47
SIGMAR1 Q99720 2/20 0.46
MCHR1 Q99705 1/20 0.45

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
SCHEMBL443493 0.87 OPRM1 (0.69) OPRM1DRD3KCNH2CHRM2HTR1A
SCHEMBL11546029 0.87 OPRM1 (0.76) OPRM1DRD3KCNH2CHRM2HTR1A
SCHEMBL9425443 0.86 OPRM1 (0.63) OPRM1DRD3KCNH2CHRM2HTR1A
Hydrochloric Acid SCHEMBL27864255 0.85 OPRM1 (0.67) OPRM1DRD3KCNH2CHRM2HTR1A
Water SCHEMBL8191777 0.85 OPRM1 (0.67) OPRM1DRD3KCNH2CHRM2HTR1A
SCHEMBL12128296 0.82 DRD3 (0.68) OPRM1DRD3KCNH2CHRM2HTR1A
SCHEMBL12126536 0.82 BCHE (0.62) OPRM1DRD3KCNH2CHRM2HTR1A
SCHEMBL3376047 0.79 CNR2 (0.55) OPRM1DRD3KCNH2CHRM2HTR1A
SCHEMBL10901912 0.78 OPRM1 (0.63) OPRM1DRD3KCNH2CHRM2HTR1A
SCHEMBL12128305 0.78 KCNH2 (0.75) OPRM1DRD3KCNH2CHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663148-A ANTIINFLAMMATORY AGENTS OF OLIGOPEPTIDES FOR BACTERICIDES, FUNGICIDES, ANTICARCINOGENIC AGENTS, VIRICIDES OR AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 1997-09-02 US disclosed
WO-1994007815-A2 SMALL PEPTIDE ANAPHYLATOXIN RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 1994-04-14 WO disclosed
WO-1994007518-A1 ANAPHYLATOXIN RECEPTOR LIGANDS CONTAINING LIPOPHILIC RESIDUES ABBOTT LABORATORIES (US) 1994-04-14 WO disclosed