SCHEMBL22609490

SCHEMBL22609490

CC(C)(C)OC(=O)N1CCN(CCOC[C@@H](F)CN(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 3/20 0.43
▸ SIGMAR1 Q99720 3/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ STS P08842 1/20 0.39
▸ ACHE P22303 1/20 0.39

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
SCHEMBL21070919 1.00 ACKR3 (0.43) ACKR3SIGMAR1ABCB1CHRM2CHRM4
SCHEMBL22609550 0.84 SIGMAR1 (0.49) SIGMAR1
SCHEMBL21071086 0.84 SIGMAR1 (0.49) SIGMAR1
SCHEMBL17782082 0.80 SIGMAR1 (0.52) ACKR3SIGMAR1CHRM2CHRM4CHRM1
SCHEMBL10321592 0.79 ABCB1 (0.56) ABCB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL10320993 0.79 ABCB1 (0.56) ABCB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL26998993 0.79 SIGMAR1 (0.50) ACKR3SIGMAR1CHRM2CHRM4CHRM1
SCHEMBL21070462 0.79 AGTR2 (0.36) —
SCHEMBL21069624 0.77 SIGMAR1 (0.47) SIGMAR1CHRM2CHRM4CHRM1CHRM3
SCHEMBL25326370 0.77 TEAD3 (0.56) ACKR3SIGMAR1CHRM2CHRM4CHRM1

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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