SCHEMBL28010202

SCHEMBL28010202

CC(C)(C)C(=O)ON1CCC(Cc2ccc(N)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CCR3 P51677 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
RYR2 Q92736 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL28045840 0.88 OPRM1 (0.47) L3MBTL1LMNA
SCHEMBL27791259 0.86 CCR3 (0.45) MEN1KMT2ACCR3ALDH1A1L3MBTL1
SCHEMBL27719507 0.85 SPHK1 (0.40) ALDH1A1
SCHEMBL28045809 0.84 SLC2A1 (0.49) CCR3ALDH1A1
SCHEMBL27841081 0.84 GABRP (0.40)
SCHEMBL27846335 0.82 CCR5 (0.51) ALDH1A1
SCHEMBL31029209 0.82 CARM1 (0.40)
SCHEMBL4773737 0.80 KDM4E (0.52) ALDH1A1L3MBTL1HTT
SCHEMBL27782129 0.80 ACHE (0.47)
SCHEMBL28024936 0.80 LMNA (0.53) MEN1KMT2AALDH1A1L3MBTL1LMNA

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
CN-104684906-A NAMPT inhibitors ABBVIE INC 2015-06-03 CN disclosed