SCHEMBL9788539

SCHEMBL9788539

O=C(O)c1cc2cccc(OCCN3CCCC3)c2cc1OCCN1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
DRD1 P21728 1/20 0.54
DRD3 P35462 1/20 0.54
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
GCGR P47871 1/20 0.51
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ABCB1 P08183 1/20 0.49
POLB P06746 1/20 0.49
HRH3 Q9Y5N1 4/20 0.49
HTR2A P28223 2/20 0.49
HTR7 P34969 2/20 0.49
HTR6 P50406 2/20 0.49
LTA4H P09960 1/20 0.47

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
SCHEMBL21712312 0.86 DRD2 (0.57) DRD2DRD1DRD3KDM4EALDH1A1
SCHEMBL10593191 0.85 PTPN1 (0.50) DRD2DRD1DRD3KDM4ETDP1
Hydrochloric Acid SCHEMBL10527368 0.84 PTPN1 (0.49) DRD2DRD1DRD3KDM4ETDP1
SCHEMBL21741610 0.80 KDM4E (0.62) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9788511 0.80 ALDH1A1 (0.52) DRD2DRD1DRD3KDM4EALDH1A1
SCHEMBL9788507 0.79 ABCB1 (0.52) GAAMEN1KMT2AABCB1HRH3
Hydrochloric Acid SCHEMBL9788535 0.79 ALDH1A1 (0.51) DRD2DRD1DRD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7628740 0.79 GCGR (0.60) KDM4EGCGRGAAPOLBHRH3
SCHEMBL8401002 0.78 DRD2 (0.75) DRD2DRD1DRD3KDM4EALDH1A1
SCHEMBL11365759 0.78 DRD2 (0.75) DRD2DRD1DRD3KDM4EALDH1A1

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-5015663-A Treatment of conditions requiring enhanced oxygen availability of mammalian tissues RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-05-14 US claimed