SCHEMBL7985841

SCHEMBL7985841

COc1cccc(CCNCCCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.64
BCHE P06276 5/20 0.63
CHRM2 P08172 2/20 0.62
CHRM1 P11229 1/20 0.62
CHRM3 P20309 1/20 0.62
SLC2A1 P11166 1/20 0.61
MTNR1A P48039 2/20 0.59
MTNR1B P49286 2/20 0.59
HTR2A P28223 1/20 0.58
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
DRD3 P35462 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL9373159 0.94 CHRM2 (0.67) SIGMAR1BCHECHRM2CHRM1CHRM3
SCHEMBL9517424 0.94 CHRM2 (0.70) SIGMAR1BCHECHRM2CHRM1CHRM3
Bromide SCHEMBL9649046 0.92 CHRM2 (0.68) SIGMAR1BCHECHRM2CHRM1CHRM3
SCHEMBL18114970 0.89 CHRM2 (0.77) SIGMAR1BCHECHRM2CHRM1CHRM3
SCHEMBL5099393 0.86 TAAR1 (0.68) BCHECHRM2CHRM1CHRM3MTNR1A
SCHEMBL3621768 0.86 SIGMAR1 (0.70) SIGMAR1BCHEHTR2ADRD2DRD4
SCHEMBL3164467 0.85 CHRM2 (0.66) SIGMAR1BCHECHRM2CHRM1CHRM3
SCHEMBL5678830 0.85 CHRM2 (0.66) SIGMAR1CHRM2CHRM1CHRM3MTNR1A
Hydrochloric Acid SCHEMBL11814390 0.85 SLC2A1 (0.62) SIGMAR1BCHECHRM2CHRM1CHRM3
SCHEMBL29194688 0.84 BCHE (0.80) BCHECHRM2CHRM1CHRM3HTR2A

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
EP-0873298-A4 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMA INC (US) 2000-05-17 EP disclosed
EP-0873298-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
WO-1997011934-A1 CHIRAL REDUCTIONS OF IMINES LEADING TO THE SYNTHESES OF OPTICALLY ACTIVE AMINES NPS PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed