SCHEMBL28817801

SCHEMBL28817801

[CH2]C(N)CCCN(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.42
PLA2G2A P14555 1/20 0.42
SIGMAR1 Q99720 1/20 0.39
NPSR1 Q6W5P4 1/20 0.33
CACNA2D1 P54289 10/20 0.32
SLC2A1 P11166 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8569449 0.85 PLA2G1B (0.40) PLA2G1BPLA2G2ASIGMAR1MEN1POLB
SCHEMBL23451697 0.80 SIGMAR1 (0.42) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL1147313 0.80 PLA2G1B (0.56) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL417108 0.78 OPRM1 (0.50) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL3856955 0.78 OPRM1 (0.50) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL29881540 0.78 OPRM1 (0.50) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL23451616 0.78 SIGMAR1 (0.41) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL23451750 0.78 SIGMAR1 (0.41) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL3856709 0.78 OPRM1 (0.50) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL20828858 0.76 PLA2G1B (0.42) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773278-A Quinazoline compound and application thereof in antivirus 苏州大学 2022-07-22 CN claimed
CN-114773278-A Quinazoline compound and application thereof in antivirus 苏州大学 2022-07-22 CN disclosed