SCHEMBL8769305

SCHEMBL8769305

NCc1cccc(CNCC(O)CN)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
DNM1 Q05193 4/20 0.43
ENPP2 Q13822 1/20 0.43
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
LMNA P02545 1/20 0.42
BCHE P06276 4/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PNMT P11086 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL303476 0.93 BCHE (0.47) ADRB2DNM1ENPP2ANPEPERAP2
SCHEMBL23052827 0.89 ADRB2 (0.46) ADRB2DNM1ENPP2ANPEPERAP2
SCHEMBL13333688 0.87 BCHE (0.46) ADRB2DNM1LMNABCHEBACE1
SCHEMBL29135337 0.86 ADRB2 (0.46) ADRB2DNM1ENPP2ANPEPERAP2
SCHEMBL16405824 0.86 BCHE (0.45) ADRB2DNM1ENPP2ANPEPERAP2
SCHEMBL13349443 0.84 CYP1A2 (0.47) DNM1LMNABCHEBACE1
SCHEMBL1425602 0.83 ALDH1A1 (0.51) ADRB2DNM1ENPP2ANPEPERAP2
SCHEMBL14532283 0.82 DNM1 (0.55) DNM1ANPEPLMNABCHEALDH1A1
SCHEMBL19122419 0.82 DNM1 (0.55) DNM1ANPEPLMNABCHEALDH1A1
SCHEMBL21415956 0.81 BCHE (0.60) ADRB2DNM1LMNABCHEBACE1

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
EP-0492590-B1 Photopolymerizable composition and dry PS plate FUJI PHOTO FILM CO LTD (JP) 1997-09-10 EP disclosed