SCHEMBL11199075

SCHEMBL11199075

COc1ccc(COCCC(C)NCC(O)c2ccc(O)c(C(N)=O)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.63
ADRB1 P08588 11/20 0.63
ADRA1A P35348 7/20 0.63
ADRA1D P25100 5/20 0.63
ADRA1B P35368 5/20 0.63
CYP2D6 P10635 3/20 0.63
SLC6A4 P31645 3/20 0.63
ADRA2A P08913 2/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
LMNA P02545 2/20 0.63
HPGD P15428 2/20 0.63
HSD17B10 Q99714 2/20 0.63
HTR1A P08908 2/20 0.63
SLC6A2 P23975 2/20 0.63
DRD3 P35462 2/20 0.63
SLC6A3 Q01959 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
OPRM1 P35372 1/20 0.63

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
SCHEMBL3723459 0.90 ADRB1 (0.77) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11189851 0.89 ADRB2 (0.79) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL3722140 0.88 ADRB2 (0.67) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11193695 0.86 ADRB2 (0.58) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11190815 0.86 ADRB1 (0.60) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11197332 0.86 ADRB2 (0.60) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11203636 0.84 ADRB1 (0.63) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL3720694 0.84 ADRB2 (0.59) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11199082 0.83 ADRB2 (0.55) ADRB2ADRB1ADRA1AADRA1DADRA1B
SCHEMBL11574990 0.83 ADRB2 (0.58) ADRB2ADRB1ADRA1AADRA1DADRA1B

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
US-4379166-A Arylmethoxy-, arylmethylthio-, heteroarylmethoxy-, and heteroarylmethylthio-alkylaminoalcohols SCHERING CORPORATION (US) 1983-04-05 US claimed
US-4379166-A Arylmethoxy-, arylmethylthio-, heteroarylmethoxy-, and heteroarylmethylthio-alkylaminoalcohols SCHERING CORPORATION (US) 1983-04-05 US disclosed