SCHEMBL27774656

SCHEMBL27774656

CN1CCN(c2ncccn2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
LMNA P02545 2/20 0.39
SCN9A Q15858 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9989960 0.81 KDM4E (0.39) PIM1SCN9AALDH1A1SCN10AGRM5
SCHEMBL12427186 0.77 CRBN (0.53) PIM1SCN9AALDH1A1GRM5KDM4E
SCHEMBL5613004 0.73 LPO (0.35) PIM1SCN9AALDH1A1SCN10AKDM4E
SCHEMBL19402116 0.72 IDH1 (0.47) PIM1
SCHEMBL11659873 0.72 DRD2 (0.54) PIM1SCN9AALDH1A1NPC1RAB9A
SCHEMBL4781538 0.72 KDM4C (0.43) SCN9AALDH1A1KDM4ENPC1RAB9A
Benzene SCHEMBL28151588 0.71 KMT2A (0.40) NPC1RAB9AMEN1KMT2A
SCHEMBL2234870 0.71 MEN1 (0.72) NPC1RAB9ADRD2HTR2AMEN1
SCHEMBL27774657 0.71 DRD2 (0.58) PIM1SCN9AALDH1A1NPC1RAB9A
SCHEMBL23126554 0.71 HTR3E (0.51) SCN9AALDH1A1SCN10AKDM4E

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-101679291-A Imidazolidine carboxamide derivatives as P2X7 modulators GLAXO GROUP LTD 2010-03-24 CN disclosed