SCHEMBL28080557

SCHEMBL28080557

NC(=O)OCCC=CCCOC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTR1A P08908 1/20 0.46
TSHR P16473 1/20 0.46
CHRNA7 P36544 1/20 0.46
ALOX15 P16050 1/20 0.43
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL20558230 0.91 CHRM2 (0.40) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL1416753 0.89 ALOX15 (0.46) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL1416487 0.89 ALOX15 (0.46) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL16244348 0.89 ALOX15 (0.46) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL1416484 0.89 ALOX15 (0.46) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL1416924 0.85 FAAH (0.50) CYP2C19ALOX15CYP1A2MEN1FAAH
SCHEMBL1416926 0.85 FAAH (0.50) CYP2C19ALOX15CYP1A2MEN1FAAH
SCHEMBL28427579 0.84 ALOX15 (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL1416787 0.83 FAAH (0.58) LMNACHRM1CYP2C19ALOX15CYP1A2
SCHEMBL28536040 0.83 LMNA (0.40) LMNACHRM2CHRM4CHRM5CHRM1

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-105712998-A Azaindole derivatives, preparation method and applications thereof in medicine 上海润诺生物科技有限公司 2016-06-29 CN disclosed