SCHEMBL12809782

SCHEMBL12809782

COC(=O)CCCCCN1CC(C)(C)c2c(OC)cc3ccccc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.40
▸ TNF P01375 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ CNR1 P21554 3/20 0.39
▸ FAAH O00519 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.35
▸ HTR1A P08908 3/20 0.35
▸ HTR1D P28221 2/20 0.35
▸ HTR1B P28222 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL15694245 0.91 CNR2 (0.37) CNR2TNFCNR1FAAHHTT
SCHEMBL15694261 0.91 FABP4 (0.38) CNR2TNFCNR1HTR1AHTR1D
SCHEMBL13243751 0.79 CNR2 (0.34) CNR2CNR1FAAHHTR1DHTR2A
SCHEMBL1408738 0.78 MEN1 (0.39) CNR2ALDH1A1
SCHEMBL12809785 0.77 FABP4 (0.40) CNR2CYP1A2CYP2C19HTR7ALDH1A1
SCHEMBL1408900 0.73 MAPT (0.39) CYP1A2ALDH1A1HPGD
SCHEMBL12809783 0.71 FABP4 (0.37) HTR1ADRD2
SCHEMBL30881522 0.69 PRSS1 (0.39) CNR1ALDH1A1
SCHEMBL30881495 0.68 FABP4 (0.42) CNR2CYP1A2CYP2C19ALDH1A1
SCHEMBL28601220 0.65 CNR2 (0.60) CNR2PPARGPPARACNR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034221-B1 DIBENZORHODAMINE DYES USEFUL AS FLUORESCENT LABELLING AGENTS LIFE TECHNOLOGIES CORP (US) 2014-05-14 — — EP disclosed
EP-2295503-A1 Dibenzorhodamine dyes useful as fluorescent labelling agents Applera Corporation (US) 2011-03-16 — — EP disclosed
EP-2221347-A1 Sulfonated diarylrhodamine dyes Applera Corporation (US) 2010-08-25 — — EP disclosed
EP-2186801-A2 Intermediates for synthesizing dibenzorhodamine dyes Applera Corporation (US) 2010-05-19 — — EP disclosed
EP-2179996-A1 Sulfonated diarylrhodamine dyes Applera Corporation (US) 2010-04-28 — — EP disclosed
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