SCHEMBL16899896

SCHEMBL16899896

CC(C)(C)OC(=O)N1CCN(CCOCC2=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])NNN2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ EPHX2 P34913 9/20 0.33
▸ CHRM2 P08172 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ ACKR3 P25106 4/20 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
SCHEMBL16898644 0.86 USP2 (0.38) TLR8EPHX2CHRM2CHRM1CHRM4
SCHEMBL16898400 0.86 USP2 (0.38) TLR8EPHX2CHRM2CHRM1CHRM4
SCHEMBL16898465 0.86 USP2 (0.38) TLR8EPHX2CHRM2CHRM1CHRM4
SCHEMBL16898385 0.86 USP2 (0.38) TLR8EPHX2CHRM2CHRM1CHRM4
SCHEMBL16898492 0.85 USP2 (0.39) TLR8EPHX2CHRM2CHRM1CHRM4
SCHEMBL16899905 0.82 TLR8 (0.34) TLR8RXFP1EPHX2CHRM2CHRM1
SCHEMBL16899895 0.81 CHRM2 (0.35) TLR8RXFP1EPHX2CHRM2CHRM1
SCHEMBL16899904 0.78 MMP2 (0.42) —
SCHEMBL16899915 0.78 MMP2 (0.42) —
SCHEMBL16906830 0.78 USP2 (0.38) EPHX2CHRM2CHRM1CHRM4CHRM3

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-2015106294-A1 BIVALENT BCR-ABL TYROSINE KINASE LIGANDS, AND METHODS OF USING SAME COFERON,INC. (US) 2015-07-16 — — WO disclosed
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