SCHEMBL7961804

SCHEMBL7961804

O=C(Nc1ccncc1)c1cn(C2CCC2)c2ncccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
ELANE P08246 1/20 0.47
KCNH2 Q12809 4/20 0.47
PKM P14618 2/20 0.45
KMT2A Q03164 1/20 0.45
PRKCI P41743 1/20 0.44
PDE4A P27815 3/20 0.43
RET P07949 2/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 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
SCHEMBL7961887 0.98 CNR1 (0.49) CNR1CNR2ELANEKCNH2PKM
SCHEMBL7966487 0.97 CNR1 (0.48) CNR1CNR2ELANEKCNH2PKM
SCHEMBL7960497 0.96 CNR1 (0.51) CNR1CNR2ELANEKCNH2PKM
SCHEMBL7966298 0.92 CNR1 (0.48) CNR1CNR2ELANEKCNH2PKM
SCHEMBL7960294 0.92 CNR1 (0.48) CNR1CNR2ELANEKCNH2PKM
SCHEMBL7966465 0.92 CNR1 (0.48) CNR1CNR2ELANEKCNH2PKM
SCHEMBL7962005 0.92 CNR1 (0.48) CNR1CNR2ELANEKCNH2PKM
SCHEMBL7951801 0.91 CNR1 (0.47) CNR1CNR2ELANEKCNH2PKM
SCHEMBL7963686 0.88 CNR2 (0.47) CNR1CNR2ELANEKCNH2PKM
SCHEMBL7951705 0.88 CNR1 (0.49) CNR1CNR2ELANEKCNH2PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed
EP-0978516-A1 1-CYCLOALKYL-1,8-NAPHTHYRIDIN-4-ONE DERIVATIVES WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SUNTORY LIMITED (JP) 2000-02-09 EP disclosed