SCHEMBL14229159

SCHEMBL14229159

CCCCN(CCC)C(=O)n1ccc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
BCHE P06276 1/20 0.45
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 2/20 0.43
P2RX1 P51575 2/20 0.43
P2RX4 Q99571 2/20 0.43
P2RX3 P56373 1/20 0.43
TACR1 P25103 1/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 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
SCHEMBL14200313 0.89 NOTUM (0.44) NOTUMBCHETSHRRAB9AL3MBTL1
SCHEMBL14200317 0.85 NOTUM (0.47) NOTUMBCHETSHRRAB9AL3MBTL1
SCHEMBL30954331 0.82 NOTUM (0.59) NOTUMBCHETSHRRAB9AL3MBTL1
SCHEMBL2692515 0.82 NOTUM (0.59) NOTUMBCHETSHRRAB9AL3MBTL1
SCHEMBL17765488 0.75 P2RX4 (0.43) SLC6A2P2RX4TACR1TP53LMNA
SCHEMBL28244322 0.75 NOTUM (0.57) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL414272 0.75 LTB4R2 (0.40) NOTUMTACR1LMNAALDH1A1GAA
SCHEMBL15298782 0.75 TACR1 (0.42) BCHETACR1TP53
SCHEMBL3834965 0.74 NOTUM (0.65) NOTUMBCHETSHRRAB9AL3MBTL1
SCHEMBL29428949 0.74 NOTUM (0.65) NOTUMBCHETSHRRAB9AL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed