SCHEMBL22958896

SCHEMBL22958896

CCCCCCCCn1c(C)c(OC(=O)c2ccccc2-c2c(C)n(CCCC)c3ccccc23)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 19/20 0.52
▸ CNR1 P21554 11/20 0.52
▸ SLC6A3 Q01959 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL18374177 0.97 CNR2 (0.51) CNR2CNR1SLC6A3
SCHEMBL18255590 0.94 CNR2 (0.50) CNR2CNR1SLC6A3ALDH1A1HTT
SCHEMBL19678763 0.87 CNR2 (0.43) CNR2CNR1SLC6A3ALDH1A1
SCHEMBL27589737 0.87 CNR2 (0.58) CNR2CNR1SLC6A3
SCHEMBL22958846 0.86 KDM4E (0.41) CNR2CNR1ALDH1A1HTT
SCHEMBL29031145 0.83 CNR2 (0.54) CNR2CNR1SLC6A3
SCHEMBL18942462 0.79 PADI4 (0.41) CNR2CNR1SLC6A3ALDH1A1
SCHEMBL29673705 0.78 CNR2 (0.53) CNR2CNR1SLC6A3
SCHEMBL17067960 0.78 KMT2A (0.45) ALDH1A1HTT
SCHEMBL9869124 0.77 CNR2 (0.62) CNR2CNR1SLC6A3

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-20210323333-A1 IMAGING MEDIUM HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2021-10-21 — — US disclosed
US-20210039414-A1 IMAGING MEDIUM HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2021-02-11 — — US disclosed
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