SCHEMBL11534872

SCHEMBL11534872

COc1ccccc1OCCNCCO

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.79
HSD17B10 Q99714 1/20 0.79
TSHR P16473 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
HTR1A P08908 4/20 0.67
ADRA1D P25100 4/20 0.67
ADRA1A P35348 4/20 0.67
ADRA1B P35368 4/20 0.67
HTR1D P28221 1/20 0.62
HTR1B P28222 1/20 0.62
ADRB2 P07550 5/20 0.59
DRD2 P14416 1/20 0.59
DRD1 P21728 1/20 0.59
DRD4 P21917 1/20 0.59
DRD3 P35462 1/20 0.59
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TP53 P04637 1/20 0.53

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
SCHEMBL12603046 0.83 ALDH1A1 (0.79) ALDH1A1HSD17B10TSHRL3MBTL1HTR1A
SCHEMBL7409161 0.81 HTR1A (0.65) ALDH1A1HSD17B10HTR1AADRA1DADRA1A
SCHEMBL516162 0.81 ALDH1A1 (0.62) ALDH1A1HSD17B10L3MBTL1HTR1AADRA1D
SCHEMBL30960126 0.81 ALDH1A1 (0.62) ALDH1A1HSD17B10L3MBTL1HTR1AADRA1D
SCHEMBL8584543 0.80 HTR1A (0.63) ALDH1A1HSD17B10HTR1AADRA1DADRA1A
SCHEMBL13082245 0.80 ADRB2 (0.64) HTR1AADRA1DADRA1AADRA1BADRB2
SCHEMBL8585578 0.80 HTR1A (0.58) ALDH1A1HSD17B10TSHRL3MBTL1HTR1A
SCHEMBL5825340 0.80 ALDH1A1 (0.65) ALDH1A1HSD17B10L3MBTL1MTNR1AMTNR1B
SCHEMBL12804709 0.79 HTR1D (0.62) ALDH1A1HSD17B10TSHRL3MBTL1HTR1D
Hydrochloric Acid SCHEMBL8053943 0.79 DRD2 (0.71) ALDH1A1HSD17B10HTR1AADRA1DADRA1A

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-4152438-A HYPOTENSIVE AGENTS BEIERSDORF AKTIENGESELLSCHAFT (DE) 1979-05-01 US disclosed