SCHEMBL14200313

SCHEMBL14200313

CCCCN(CCC(C)(C)C)C(=O)n1ccc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.39
TACR1 P25103 1/20 0.38
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL14200317 0.93 NOTUM (0.47) NOTUMTSHRRAB9AL3MBTL1SLC6A2
SCHEMBL14229159 0.89 NOTUM (0.50) NOTUMTSHRRAB9AL3MBTL1SLC6A2
SCHEMBL30954331 0.77 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1SLC6A2
SCHEMBL2692515 0.77 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1SLC6A2
SCHEMBL17765488 0.70 P2RX4 (0.43) SLC6A2TACR1TP53ALDH1A1LMNA
SCHEMBL28244322 0.70 NOTUM (0.57) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL414272 0.70 LTB4R2 (0.40) NOTUMTACR1ALDH1A1LMNAGAA
SCHEMBL3834965 0.69 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1SLC6A2
SCHEMBL29428949 0.69 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1SLC6A2
SCHEMBL14200307 0.69 POLB (0.63) NOTUMTSHRRAB9ATP53ALDH1A1

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