SCHEMBL14229012

SCHEMBL14229012

CCCCN(CCCC)S(=O)(=O)CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
BMP1 P13497 2/20 0.41
CA1 P00915 4/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL14230189 0.95 CA1 (0.48) CNR2BMP1CA1POLBSMN1; SMN2
SCHEMBL14229874 0.93 CNR2 (0.45) CNR2BMP1CA1CA12CA9
SCHEMBL14229131 0.91 FAAH (0.48) CNR2CA2FAAH
SCHEMBL14228922 0.91 CNR2 (0.47) CNR2BMP1CA1POLBSMN1; SMN2
SCHEMBL8910789 0.91 CNR2 (0.55) CNR2BMP1CA1S1PR2S1PR1
SCHEMBL14228898 0.90 CA1 (0.40) CNR2BMP1CA1POLBSMN1; SMN2
SCHEMBL14228923 0.89 CA1 (0.46) CNR2BMP1CA1CA12CA9
SCHEMBL14229362 0.87 CA1 (0.46) CNR2CA1POLBSMN1; SMN2ALDH1A1
SCHEMBL6546815 0.87 CNR2 (0.42) CNR2BMP1CA1POLBSMN1; SMN2
SCHEMBL14229917 0.87 CNR2 (0.45) CNR2CA1CA12CA2CA14

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-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed