SCHEMBL24650334

SCHEMBL24650334

CCOC(=O)COC1c2cc(OC)ccc2CC1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MTNR1A P48039 6/20 0.38
MTNR1B P49286 5/20 0.38
KMT2A Q03164 1/20 0.37
NQO2 P16083 3/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL24650349 0.91 GAA (0.42) KDM4EMTNR1AMTNR1BNQO2GAA
SCHEMBL24650321 0.90 BRD4 (0.40) OPRM1ADRB2HTR1AADRA2AADRA2B
SCHEMBL24650356 0.88 BRD4 (0.46) MTNR1AMTNR1BNQO2GAAALDH1A1
SCHEMBL24650330 0.86 HSD17B1 (0.36) OPRM1OPRK1KMT2A
SCHEMBL24650539 0.85 PTGDR2 (0.45) OPRM1MTNR1AMTNR1BNQO2KYAT1
SCHEMBL24650515 0.84 NQO2 (0.41) KDM4EMTNR1AMTNR1BKMT2ANQO2
SCHEMBL24650478 0.82 POLB (0.39) KDM4EGAAHSD17B10ALDH1A1
SCHEMBL24650346 0.81 GAA (0.42) KDM4EGAAHSD17B10ALDH1A1HPGD
SCHEMBL24650889 0.81 KMT2A (0.43) OPRM1ADRB2HTR1AADRA2AADRA2B
SCHEMBL24650431 0.81 MTNR1A (0.42) MTNR1AMTNR1BNQO2

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
WO-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed