SCHEMBL14200218

SCHEMBL14200218

CCCCN(CCC(C)(C)C)S(=O)(=O)CCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
BMP1 P13497 2/20 0.36
ESR2 Q92731 1/20 0.32
NPC1 O15118 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
AGTR1 P30556 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL14200354 0.95 CNR2 (0.38) CNR2BMP1ESR2
SCHEMBL14200355 0.93 CNR2 (0.40) CNR2BMP1
SCHEMBL14201305 0.93 CA1 (0.40) CNR2BMP1NPC1S1PR2S1PR4
SCHEMBL14200202 0.93 CNR2 (0.33) CNR2BMP1ESR2CA1CA12
SCHEMBL14200186 0.90 CA1 (0.34) ESR2POLBAGTR1SMN1; SMN2CA1
SCHEMBL14229019 0.90 CNR2 (0.33) CNR2BMP1
SCHEMBL14200200 0.90 CNR2 (0.33) CNR2BMP1TSHR
SCHEMBL14200349 0.89 CNR2 (0.39) CNR2BMP1NPC1S1PR2S1PR4
SCHEMBL14201212 0.89 CNR2 (0.33) CNR2BMP1ESR2
SCHEMBL14200353 0.87 CA1 (0.39) CNR2BMP1CA1CA12CA7

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 3 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
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed