SCHEMBL4332382

SCHEMBL4332382

C1=CCC2CCC(c3ccccn3)C2=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
ESR1 P03372 1/20 0.31
PABPC1 P11940 1/20 0.31
PLK1 P53350 1/20 0.31

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
SCHEMBL25317454 0.76 SLC18A3 (0.33) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL29437813 0.73 DDB1 (0.39) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL13889929 0.70 KDM4E (0.44) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL659325 0.70 KDM4E (0.48) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL29448519 0.70
SCHEMBL900225 0.70
SCHEMBL10317513 0.70 SLC6A4 (0.43) KDM4E
SCHEMBL13863010 0.70 DDB1 (0.36) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL8427103 0.67
SCHEMBL13674926 0.67 OPRM1 (0.38) DDB1CRBNALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009071500-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-11 WO disclosed
WO-2006089038-A3 INSECTICIDAL TETRAHYDROINDENOPYRIDINE DERIVATIVES FMC CORP (US) 2007-01-11 WO disclosed
WO-2006089038-A2 INSECTICIDAL TETRAHYDROINDENOPYRIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-08-24 WO disclosed