SCHEMBL28478349

SCHEMBL28478349

CCC1Cc2ccccc2C1c1c[nH]cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.36
OPRK1 P41145 3/20 0.35
OPRD1 P41143 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1B P35368 1/20 0.32

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
Hydrochloric Acid SCHEMBL28508991 0.99 OPRM1 (0.35) OPRM1OPRK1OPRD1KDM4EMEN1
SCHEMBL8865254 0.78 OPRM1 (0.36) OPRM1OPRK1
SCHEMBL9074802 0.77 PNMT (0.44) ADRA2AADRA2BADRA2C
SCHEMBL28513726 0.75 OPRM1 (0.36) OPRM1OPRK1
SCHEMBL5827252 0.72 ADRA1A (0.44) MEN1KMT2A
Hydrochloric Acid SCHEMBL27796359 0.71 CYP19A1 (0.46) OPRM1ADRA2AADRA2BADRA2CADRA1B
Hydrochloric Acid SCHEMBL8614363 0.71 ADRA1A (0.43) MEN1KMT2A
SCHEMBL6667416 0.69 OPRM1 (0.34) OPRM1OPRK1OPRD1
SCHEMBL6250927 0.68 ADRA1A (0.54) OPRM1MEN1ALDH1A1KMT2AADRA2A
SCHEMBL28489574 0.67 SLC6A2 (0.37) ADRA2AADRA2BADRA2CADRA1B

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
CN-111925330-A Preparation method of altimezole 上海阿达玛斯试剂有限公司 2020-11-13 CN disclosed