SCHEMBL3354205

SCHEMBL3354205

Cn1cc(CCN2CCOCC2)c2cc(N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
HTR6 P50406 2/20 0.46
ADRB2 P07550 1/20 0.45
HTR1D P28221 1/20 0.45
HTR2A P28223 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
POLB P06746 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL3357664 0.88 HRH3 (0.47) LMNAADRB2HTR1DHRH3ALDH1A1
SCHEMBL3355548 0.88 HTR1D (0.48) HTR6ADRB2HTR1DHTR2ASIGMAR1
SCHEMBL3356705 0.86 HTR1D (0.47) LMNAHTR6ADRB2HTR1DHTR2A
SCHEMBL3355352 0.86 ADRB2 (0.47) HTR6ADRB2HTR1DHTR2ASIGMAR1
SCHEMBL27816681 0.81 LMNA (0.62) LMNAHTR2APOLBHTTALDH1A1
SCHEMBL3352554 0.79 KMT2A (0.51) LMNAHTR6POLBALDH1A1MAPT
SCHEMBL3320875 0.78 HTR1D (0.68) HTR6ADRB2HTR1DHTR2AHTT
SCHEMBL3358110 0.77 HRH3 (0.55) LMNAHRH3ALDH1A1MAPT
SCHEMBL2075509 0.77 HTR2A (0.44) HTR6ADRB2HTR1DHTR2ASIGMAR1
SCHEMBL12005459 0.76 SIGMAR1 (0.46) SIGMAR1POLBMAPTSMN1; SMN2

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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed