SCHEMBL22452289

SCHEMBL22452289

CC(C)(C)OC(=O)NCCN(CC1=C/C=C\C=C/C=C\1)C(=O)CCN(C[C@H](O)COc1cccc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 6/20 0.38
▸ HTR1A P08908 3/20 0.38
▸ ADRB1 P08588 5/20 0.37
▸ SIGMAR1 Q99720 4/20 0.37
▸ CYP2D6 P10635 4/20 0.37
▸ ADRB3 P13945 4/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ HTR2B P41595 3/20 0.37
▸ NR2E1 Q9Y466 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HTR2A P28223 3/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ HTR6 P50406 3/20 0.37
▸ ABCB1 P08183 3/20 0.37
▸ SCN1A P35498 2/20 0.37
▸ SLC10A1 Q14973 2/20 0.37
▸ SCN2A Q99250 2/20 0.37
▸ SCN3A Q9NY46 2/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL27098253 0.88 TSHR (0.42) ADRB2HTR1AADRB1SIGMAR1CYP2D6
SCHEMBL22452370 0.83 ADRB2 (0.38) ADRB2HTR1AADRB1SIGMAR1CYP2D6
SCHEMBL22605172 0.83 MEN1 (0.42) ADRB2HTR1AADRB1SIGMAR1CYP2D6
SCHEMBL22452408 0.79 NR2E1 (0.50) ADRB2HTR1AADRB1SIGMAR1CYP2D6
SCHEMBL22452287 0.79 NR2E1 (0.50) ADRB2HTR1AADRB1SIGMAR1CYP2D6
SCHEMBL27098252 0.77 TSHR (0.45) ADRB2HTR1AADRB1SIGMAR1CYP2D6
SCHEMBL22604990 0.72 NR2E1 (0.49) ADRB2HTR1AADRB1SIGMAR1CYP2D6
SCHEMBL22605173 0.72 MEN1 (0.43) ADRB2HTR1AADRB1SIGMAR1CYP2D6
SCHEMBL22452392 0.70 ADRB1 (0.60) ADRB2HTR1AADRB1SIGMAR1CYP2D6
SCHEMBL6775787 0.69 ADRB2 (0.45) ADRB2HTR1ACYP1A2SMN1; SMN2LMNA

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-2020191339-A1 PHOTOAFFINITY PROBES PROMEGA CORPORATION (US) 2020-09-24 — — WO disclosed
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