SCHEMBL9416205

SCHEMBL9416205

CCCCn1c(C)c(C(=CC2(c3ccc(N(CC)CC)cc3)OC(=O)c3ccccc32)c2c(C)n(CCCC)c3ccccc23)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.41
CNR1 P21554 8/20 0.41
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL9416218 0.97 CNR2 (0.43) CNR2CNR1SLC6A3
SCHEMBL5520228 0.92 RORA (0.40) CNR2CNR1SLC6A3
SCHEMBL25608 0.91 ALDH1A1 (0.34) CNR2CNR1
SCHEMBL29386399 0.91 ALDH1A1 (0.34) CNR2CNR1
SCHEMBL9416216 0.90 ALDH1A1 (0.39) CNR2
SCHEMBL9416219 0.88 CNR2 (0.34) CNR2CNR1SLC6A3
SCHEMBL7479433 0.86 SRD5A1 (0.33) CNR2CNR1
SCHEMBL7473925 0.86 PLA2G2A (0.37) CNR2CNR1SLC6A3
SCHEMBL7477171 0.86 CNR2 (0.32) CNR2CNR1SLC6A3
SCHEMBL21415865 0.85 ALDH1A1 (0.34)

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
EP-0581589-A2 Phthalide compounds, and recording materials using the compounds YAMAMOTO CHEMICALS, INC. (JP) 1994-02-02 EP disclosed