SCHEMBL9449308

SCHEMBL9449308

CC(C)CCC(N)C(O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.59
KDM4E B2RXH2 2/20 0.59
ADRA2A P08913 1/20 0.59
LMNA P02545 1/20 0.59
HIF1A Q16665 1/20 0.59
ALDH1A1 P00352 2/20 0.57
AOC3 Q16853 6/20 0.49
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
CHRM2 P08172 1/20 0.46
ADRA1A P35348 1/20 0.46
RGS12 O14924 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL9449194 0.82 ADRA2C (0.61) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL6743516 0.82 ADRA2C (0.61) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL851371 0.82 AOC3 (0.62) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL8135905 0.82 AOC3 (0.62) ADRA2CKDM4EADRA2ALMNAHIF1A
Hydrochloric Acid SCHEMBL3008842 0.81 AOC3 (0.61) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL21278557 0.79 AOC3 (0.54) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL8125880 0.79 AOC3 (0.54) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL9206136 0.78 CSNK1E (0.55) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL9190252 0.78 KDM4E (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL12418041 0.78 KDM4E (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A

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
US-5250546-A Administering as therapy for spastic paralysis; glutamic acid blocking agent; agricultural chemicals NIPPON CHEMIPHAR CO., LTD. (JP) 1993-10-05 US disclosed
EP-0177245-B1 AMINO-ALCOHOL DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NIPPON CHEMIPHAR CO., LTD. (JP) 1991-04-10 EP disclosed
EP-0177245-A2 Amino-alcohol derivatives and processes for their preparation NIPPON CHEMIPHAR CO., LTD. (JP) 1986-04-09 EP disclosed