SCHEMBL22609550

SCHEMBL22609550

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCN1CCN(CCOC[C@@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.49
▸ DRD2 P14416 7/20 0.44
▸ IDO1 P14902 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ AKT1 P31749 2/20 0.39
▸ ADRB2 P07550 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ PARP1 P09874 1/20 0.38

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
SCHEMBL21071086 1.00 SIGMAR1 (0.49) SIGMAR1DRD2IDO1KDM4EALDH1A1
SCHEMBL21071095 0.92 IDO1 (0.47) IDO1AKT1ADRB2HTR1A
SCHEMBL22609374 0.92 IDO1 (0.47) IDO1AKT1ADRB2HTR1A
SCHEMBL21071364 0.92 IDO1 (0.47) IDO1AKT1ADRB2HTR1A
SCHEMBL21070953 0.92 IDO1 (0.47) IDO1AKT1ADRB2HTR1A
SCHEMBL21071107 0.92 IDO1 (0.47) IDO1AKT1ADRB2HTR1A
SCHEMBL21070675 0.92 IDO1 (0.47) IDO1AKT1ADRB2HTR1A
SCHEMBL21070267 0.90 IDO1 (0.49) SIGMAR1IDO1AKT1ADRB2HTR1A
SCHEMBL22609552 0.89 IDO1 (0.45) SIGMAR1IDO1AKT1ADRB2HTR1A
SCHEMBL21070300 0.84 IDO1 (0.43) SIGMAR1IDO1TDP1AKT1

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
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 — — EP disclosed
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