SCHEMBL20160121

SCHEMBL20160121

CN1CCC(C(=O)N2CCC(N3CCOCC3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RECQL P46063 1/20 0.51
HRH3 Q9Y5N1 3/20 0.50
L3MBTL3 Q96JM7 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
EPHX2 P34913 1/20 0.46
HTT P42858 1/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL19884757 0.90 LMNA (0.61) LMNAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL2077746 0.87 TSHR (0.65) LMNAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL20160117 0.85 HTT (0.57) LMNAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL8191261 0.85 L3MBTL3 (0.57) LMNAMEN1KMT2ASMN1; SMN2L3MBTL3
SCHEMBL24204687 0.85 HTT (0.56) LMNATSHRHRH3L3MBTL3L3MBTL1
SCHEMBL24371474 0.84 LMNA (0.59) LMNAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL21569638 0.84 LMNA (0.60) LMNAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL19203828 0.82 HTT (0.61) LMNATSHRHRH3L3MBTL3L3MBTL1
SCHEMBL15219332 0.82 HTT (0.61) LMNATSHRHRH3L3MBTL3L3MBTL1
SCHEMBL1371577 0.81 SMN1; SMN2 (0.48) LMNASMN1; SMN2HRH3L3MBTL3L3MBTL1

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