SCHEMBL28016909

SCHEMBL28016909

CCCCCC(N)NCCN

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
RRM1 P23921 1/20 0.41
DNM1 Q05193 8/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
TP53 P04637 1/20 0.36
LAP3 P28838 1/20 0.36

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
SCHEMBL28317962 0.98 SPHK1 (0.45) OPRM1GNAI3GNAO1GNAI1SPHK1
SCHEMBL7206010 0.93 DPP7 (0.39) OPRM1GNAI3GNAO1GNAI1SPHK1
SCHEMBL11408322 0.88 GNAI3 (0.41) OPRM1GNAI3GNAO1GNAI1SPHK1
SCHEMBL6021971 0.88 GNAI3 (0.47) OPRM1GNAI3GNAO1GNAI1SPHK1
SCHEMBL7205302 0.88 GNAI3 (0.51) OPRM1GNAI3GNAO1GNAI1DPP7
SCHEMBL20875301 0.86 OPRM1 (0.48) OPRM1GNAI3GNAO1GNAI1SPHK1
SCHEMBL10457082 0.86 OPRM1 (0.48) OPRM1GNAI3GNAO1GNAI1SPHK1
SCHEMBL28676201 0.86 GNAI3 (0.54) GNAI3GNAO1GNAI1SPHK1DPP7
SCHEMBL7203944 0.86 GNAI3 (0.54) GNAI3GNAO1GNAI1SPHK1DPP7
SCHEMBL27428520 0.86 GNAI3 (0.54) GNAI3GNAO1GNAI1SPHK1DPP7

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-104542735-A Improved air disinfecting preparation QINGDAO SANDING SANITARY PROD 2015-04-29 CN disclosed