SCHEMBL20159571

SCHEMBL20159571

CN(C)CC1CCN(C(=O)C2CCN(C)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.44
FASN P49327 3/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NAMPT P43490 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
KMT2A Q03164 1/20 0.35
NCF1 P14598 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL24671755 0.84 HTT (0.44) HTTLMNAGNAI3GNAO1GNAI1
SCHEMBL21569670 0.84 HPGD (0.38) HTTFASNALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL25512071 0.81 HTT (0.41) HTTLMNAFASNGNAI3GNAO1
SCHEMBL12258956 0.80 HPGD (0.50) HTTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13621127 0.78 HTT (0.44) HTTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL90793 0.77 NCF1 (0.44) LMNAGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL20715643 0.77 NCF1 (0.44) LMNAGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL23841452 0.77 NCF1 (0.44) LMNAGNAI3GNAO1GNAI1ALDH1A1
SCHEMBL12258964 0.77 ALDH1A1 (0.52) HTTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL21569732 0.76 NR1D1 (0.40)

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