SCHEMBL28074746

SCHEMBL28074746

CCCCCC(N)CN(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.63
PLA2G2A P14555 1/20 0.63
OPRM1 P35372 1/20 0.48
S1PR2 O95136 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR4 O95977 4/20 0.42
SPHK1 Q9NYA1 2/20 0.40
TP53 P04637 2/20 0.39
LAP3 P28838 2/20 0.39
DNM1 Q05193 1/20 0.39
CYP2D6 P10635 2/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 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
SCHEMBL11597052 0.93 PLA2G1B (0.54) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL4624001 0.82
SCHEMBL2637015 0.82
SCHEMBL21024881 0.82 PLA2G1B (0.64) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL23846221 0.80 PLA2G1B (0.57) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL15709654 0.79 PLA2G1B (0.55) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL672857 0.79 OPRM1 (0.63) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL31568087 0.77 PLA2G1B (0.59) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL30381894 0.77 PLA2G1B (0.77) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1
SCHEMBL30304050 0.77 PLA2G1B (0.77) PLA2G1BPLA2G2AOPRM1S1PR2S1PR1

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-105732401-A (Amide amino alkane) Metal compound, method of manufacturing metal-containing thin film using said metal compound 宇部兴产株式会社 2016-07-06 CN disclosed