SCHEMBL10409269

SCHEMBL10409269

CCCCCc1ccccc1NCCCCCCCOCCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
CHRM2 P08172 1/20 0.39
KCNH3 Q9ULD8 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 3/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CNR1 P21554 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL10409264 1.00 LIPG (0.43) LIPGL3MBTL1CHRM2KCNH3THRA
SCHEMBL10408194 0.96 LIPG (0.44) LIPGL3MBTL1CHRM2KCNH3THRA
SCHEMBL10408706 0.93 L3MBTL1 (0.41) LIPGL3MBTL1CHRM2KCNH3NPSR1
SCHEMBL10407957 0.93 L3MBTL1 (0.41) LIPGL3MBTL1CHRM2KCNH3NPSR1
SCHEMBL4557996 0.89 LIPG (0.51) LIPGL3MBTL1CHRM2KCNH3NPSR1
SCHEMBL10409294 0.89 LIPG (0.51) LIPGL3MBTL1CHRM2KCNH3NPSR1
SCHEMBL10408672 0.88 LIPG (0.49) LIPGL3MBTL1CHRM2KCNH3CNR2
SCHEMBL10408667 0.86 LIPG (0.47) LIPGL3MBTL1CHRM2KCNH3NPSR1
SCHEMBL10408037 0.83 CNR2 (0.39) NPSR1CNR2ALDH1A1CNR1
SCHEMBL10407963 0.83 CNR2 (0.39) NPSR1CNR2ALDH1A1CNR1

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-4925984-A REACTION WITH BROMINE IN SOLUTION ETHYL CORPORATION (US) 1990-05-15 US disclosed