SCHEMBL3351951

SCHEMBL3351951

Cc1cc2ccc(N)cc2n1CC1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
CNR2 P34972 2/20 0.38
BRPF1 P55201 1/20 0.37
BRD4 O60885 1/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 2/20 0.35
PIK3CA P42336 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
MTOR P42345 1/20 0.34
NCF1 P14598 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL13537342 0.81 NOTUM (0.40) NOTUMCNR2BRD4PIK3CAMTOR
SCHEMBL3354596 0.79 ACHE (0.48) NOTUMCNR2HRH4ALDH1A1
SCHEMBL3359089 0.78 HTR7 (0.43)
SCHEMBL20853224 0.77 NOTUM (0.49) NOTUMBRD4
SCHEMBL3353952 0.76 KDM4E (0.41) HTR1DHTR1BBRPF1OPRD1OPRK1
SCHEMBL20853117 0.73 NOTUM (0.44) NOTUMCNR2BRD4
SCHEMBL3353288 0.71 HTR7 (0.40)
SCHEMBL27204180 0.70 MAPT (0.46) NOTUM
SCHEMBL31230201 0.70 TSHR (0.51) NOTUMBRD4KDM4EHSD17B10ALDH1A1
SCHEMBL16103840 0.70 TSHR (0.51) NOTUMBRD4KDM4EHSD17B10ALDH1A1

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