SCHEMBL7911301

SCHEMBL7911301

CC1=C(C)N2C=C(CN3CCCC3=O)C=C(c3cccc(Cl)c3)C2N1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 2/20 0.34
GRM2 Q14416 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRIA2 P42262 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PGR P06401 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
GRM5 P41594 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
SCHEMBL7902850 0.80 PGR (0.33) RAB9AKMT2ASMN1; SMN2PGRLMNA
SCHEMBL7913175 0.75 MAOB (0.33) SMN1; SMN2PGRLMNAALDH1A1
SCHEMBL7911681 0.75 MAPT (0.36) KMT2ASMN1; SMN2PGRLMNAALDH1A1
SCHEMBL7920535 0.72 DHFR (0.33)
SCHEMBL7913291 0.71 ALOX5 (0.42) KMT2AMAPK1L3MBTL1LMNAALDH1A1
SCHEMBL7915330 0.67 MEN1 (0.36) KMT2A
SCHEMBL7921942 0.66 CHRM3 (0.31) KMT2ALMNAALDH1A1
SCHEMBL7916993 0.63 ESR2 (0.35) KMT2ADRD2DRD4DRD3PGR
SCHEMBL3792406 0.63 PDE4B (0.62) RAB9AKMT2ATSHRL3MBTL1
SCHEMBL7931521 0.62 ADORA3 (0.39) NLRP3RAB9AGRM2L3MBTL1LMNA

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
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed