SCHEMBL20160117

SCHEMBL20160117

CN1CCC(C(=O)N2CCC(N3CCC3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
LMNA P02545 2/20 0.56
L3MBTL3 Q96JM7 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MBTD1 Q05BQ5 1/20 0.44
TP53BP1 Q12888 1/20 0.44
L3MBTL4 Q8NA19 1/20 0.44

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
SCHEMBL8191261 0.97 L3MBTL3 (0.57) HTTLMNAL3MBTL3L3MBTL1ALDH1A1
SCHEMBL24204687 0.89 HTT (0.56) HTTLMNAL3MBTL3L3MBTL1ALDH1A1
SCHEMBL24352372 0.86 LMNA (0.60) HTTLMNAL3MBTL3L3MBTL1ALDH1A1
SCHEMBL19203828 0.86 HTT (0.61) HTTLMNAL3MBTL3L3MBTL1ALDH1A1
SCHEMBL15219332 0.86 HTT (0.61) HTTLMNAL3MBTL3L3MBTL1ALDH1A1
SCHEMBL20160121 0.85 LMNA (0.64) HTTLMNAL3MBTL3L3MBTL1ALDH1A1
SCHEMBL14155726 0.85 HTT (0.75) HTTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL24334506 0.83 HSD11B1 (0.56) HTTLMNAL3MBTL3L3MBTL1ALDH1A1
SCHEMBL24206985 0.82 HTT (0.49) HTTLMNAL3MBTL3L3MBTL1ALDH1A1
SCHEMBL21569648 0.82 LMNA (0.47) HTTLMNAL3MBTL3L3MBTL1ALDH1A1

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-2018089695-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-05-17 WO disclosed