SCHEMBL14200317

SCHEMBL14200317

CCCN(CCC(C)(C)C)C(=O)n1ccc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
BCHE P06276 1/20 0.42
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RX1 P51575 2/20 0.40
P2RX4 Q99571 2/20 0.40
P2RX3 P56373 1/20 0.40
TP53 P04637 1/20 0.38
SLC6A2 P23975 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 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
SCHEMBL14200313 0.93 NOTUM (0.44) NOTUMBCHETSHRRAB9AL3MBTL1
SCHEMBL14229159 0.85 NOTUM (0.50) NOTUMBCHETSHRRAB9AL3MBTL1
SCHEMBL30954331 0.79 NOTUM (0.59) NOTUMBCHETSHRRAB9AL3MBTL1
SCHEMBL2692515 0.79 NOTUM (0.59) NOTUMBCHETSHRRAB9AL3MBTL1
SCHEMBL29428949 0.71 NOTUM (0.65) NOTUMBCHETSHRRAB9AL3MBTL1
SCHEMBL3834965 0.71 NOTUM (0.65) NOTUMBCHETSHRRAB9AL3MBTL1
SCHEMBL30452423 0.68 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL3004386 0.68 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL28978894 0.68 NOTUM (0.56) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL2997057 0.68 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1LMNA

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