SCHEMBL28990465

SCHEMBL28990465

NCCCC[C@H](N)C(=O)NCCCOCCOCCOCCCNCCCOCCOCCOCCOCCOCCCN

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.57
▸ GNAO1 P09471 1/20 0.57
▸ GNAI1 P63096 1/20 0.57
▸ TLR2 O60603 5/20 0.48
▸ DPP7 Q9UHL4 3/20 0.47
▸ RRM1 P23921 1/20 0.46
▸ MMP2 P08253 1/20 0.44
▸ TERT O14746 4/20 0.43
▸ CA2 P00918 1/20 0.43
▸ NOS1 P29475 1/20 0.41
▸ GSR P00390 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ CHRNA1 P02708 1/20 0.38
▸ CHRNG P07510 1/20 0.38
▸ CHRNB1 P11230 1/20 0.38
▸ CHRND Q07001 1/20 0.38

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
SCHEMBL14240492 0.96 GNAI3 (0.61) GNAI3GNAO1GNAI1TLR2DPP7
SCHEMBL24379775 0.94 GNAI3 (0.63) GNAI3GNAO1GNAI1TLR2DPP7
SCHEMBL20980426 0.94 GNAI3 (0.63) GNAI3GNAO1GNAI1TLR2DPP7
SCHEMBL20980376 0.94 GNAI3 (0.63) GNAI3GNAO1GNAI1TLR2DPP7
SCHEMBL20980377 0.90 GNAI3 (0.56) GNAI3GNAO1GNAI1TLR2DPP7
SCHEMBL30374579 0.88 GNAI3 (0.53) GNAI3GNAO1GNAI1TLR2DPP7
SCHEMBL14616487 0.87 GNAI3 (0.63) GNAI3GNAO1GNAI1TLR2DPP7
SCHEMBL14616486 0.87 GNAI3 (0.68) GNAI3GNAO1GNAI1TLR2DPP7
SCHEMBL24379743 0.87 GNAI3 (0.64) GNAI3GNAO1GNAI1TLR2DPP7
SCHEMBL17886110 0.87 GNAI3 (0.58) GNAI3GNAO1GNAI1TLR2DPP7

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-115996730-A Method for synthesizing cationic lipids 百时美施贵宝公司 2023-04-21 — — CN disclosed
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