SCHEMBL9466458

SCHEMBL9466458

CCCCCn1c(C)c(C2(c3ccc(N(CC)CC)cc3C)OC(=O)c3cccnc32)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.36
CNR1 P21554 3/20 0.36
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 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
SCHEMBL8777649 0.99 CNR2 (0.36) CNR2CNR1SLC6A3KDM4EALDH1A1
SCHEMBL8777754 0.99 CNR2 (0.36) CNR2CNR1SLC6A3KDM4EALDH1A1
SCHEMBL31104737 0.98 CNR2 (0.34) CNR2CNR1KDM4EALDH1A1HTT
SCHEMBL334486 0.98 CNR2 (0.34) CNR2CNR1KDM4EALDH1A1HTT
SCHEMBL25190086 0.92 CNR2 (0.34) CNR2CNR1SLC6A3KDM4EALDH1A1
SCHEMBL211573 0.91 MAPT (0.36) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL29385761 0.91 MAPT (0.36) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL30008910 0.91 MAPT (0.36) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL4578856 0.91 CNR2 (0.36) CNR2CNR1SLC6A3KDM4EALDH1A1
SCHEMBL1767232 0.91 CNR2 (0.38) CNR2CNR1SLC6A3MEN1KMT2A

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
US-5179066-A THERMOSENSITIVE RECORDING MATERIAL YAMADA CHEMICAL CO., LTD. (JP) 1993-01-12 US disclosed