SCHEMBL5498735

SCHEMBL5498735

CCCC(N)N1CCN(c2ccccc2OC)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.61
DRD3 P35462 4/20 0.58
HTR1A P08908 3/20 0.57
POLB P06746 1/20 0.54
TSHR P16473 2/20 0.53
GAA P10253 1/20 0.53
HTR6 P50406 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
HTR7 P34969 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL30724862 1.00 DRD2 (0.61) DRD2DRD3HTR1APOLBTSHR
SCHEMBL9527919 0.92 HTR1A (0.62) DRD2DRD3HTR1APOLBTSHR
SCHEMBL8957751 0.90 DRD2 (0.58) DRD2DRD3HTR1APOLBHTR6
SCHEMBL7671076 0.82 DRD2 (0.63) DRD2DRD3HTR1APOLBGAA
SCHEMBL13648743 0.81 POLB (0.65) DRD2DRD3HTR1APOLBHTR6
SCHEMBL6930570 0.79 POLB (0.64) DRD2DRD3HTR1APOLBHTR6
SCHEMBL11110538 0.79 ALDH1A1 (0.66) DRD2DRD3HTR1APOLBKMT2A
SCHEMBL278126 0.79 DRD2 (0.67) DRD2DRD3HTR1APOLBTSHR
SCHEMBL6506614 0.78 DRD2 (0.58) DRD2DRD3HTR1APOLBTSHR
SCHEMBL10746398 0.78 DRD2 (0.58) DRD2DRD3HTR1APOLBHTR6

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
EP-1778685-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2007-05-02 EP disclosed
WO-2006015737-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2006-02-16 WO disclosed