SCHEMBL28707686

SCHEMBL28707686

NC(=O)c1ccc(OCC2CC2)cn1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.62
PARP15 Q460N3 6/20 0.62
PARP2 Q9UGN5 2/20 0.62
LRRK2 Q5S007 1/20 0.47
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
MCHR1 Q99705 4/20 0.46
BACE1 P56817 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
KMT2A Q03164 1/20 0.41
CHEK2 O96017 1/20 0.41

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
SCHEMBL10328684 0.86 PARP10 (0.53) PARP10PARP15PARP2CYP4F2CYP4A11
SCHEMBL457981 0.86 P4HTM (0.56) PARP10PARP15PARP2CYP4F2CYP4A11
SCHEMBL22583269 0.84 PARP10 (0.50) PARP10PARP15PARP2CYP4F2CYP4A11
SCHEMBL31681177 0.83 PARP15 (0.49) PARP10PARP15PARP2CYP4F2CYP4A11
SCHEMBL1173221 0.82 MAPK1 (0.51) PARP10PARP15PARP2CYP4F2CYP4A11
Nitrous Acid SCHEMBL28713860 0.81 PARP10 (0.48) PARP10PARP15PARP2LRRK2CYP4F2
SCHEMBL28698673 0.78 PDE4A (0.50) PARP10CYP4F2CYP4A11OPRM1OPRD1
SCHEMBL20812681 0.77 CNR2 (0.60) MCHR1
SCHEMBL6302880 0.77 PARP10 (0.58) PARP10OPRM1OPRD1OPRK1KMT2A
SCHEMBL19309297 0.77 KMT2A (0.50) PARP10CYP4F2CYP4A11BACE1OPRM1

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-114072395-A Heterocyclic compounds and their use for treating helminth infections and diseases 新基公司 2022-02-18 CN disclosed