SCHEMBL20159515

SCHEMBL20159515

CN(C)CCCCCNC(=O)C1CCN(C)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.51
GNAO1 P09471 3/20 0.51
GNAI1 P63096 3/20 0.51
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NAAA Q02083 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 1/20 0.43
NAMPT P43490 1/20 0.41

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
SCHEMBL20159567 1.00 GNAI3 (0.51) GNAI3GNAO1GNAI1LMNAHSD17B10
SCHEMBL20159513 0.98 GNAI3 (0.49) GNAI3GNAO1GNAI1LMNAHSD17B10
SCHEMBL13817642 0.94 LMNA (0.53) GNAI3GNAO1GNAI1LMNAHSD17B10
SCHEMBL12039267 0.88 HSD17B10 (0.52) GNAI3GNAO1GNAI1LMNAHSD17B10
SCHEMBL9478831 0.85 LMNA (0.48) GNAI3GNAO1GNAI1LMNAHSD17B10
SCHEMBL21569642 0.85 GNAI3 (0.45) GNAI3GNAO1GNAI1LMNAHSD17B10
SCHEMBL21569685 0.85 GNAI3 (0.45) GNAI3GNAO1GNAI1LMNAHSD17B10
SCHEMBL22340815 0.83 GNAI3 (0.70) GNAI3GNAO1GNAI1NAAASMN1; SMN2
SCHEMBL21569626 0.83 LMNA (0.46) GNAI3GNAO1GNAI1LMNAHSD17B10
SCHEMBL24098152 0.81 GNAI3 (0.68) GNAI3GNAO1GNAI1LMNANAAA

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