SCHEMBL7812795

SCHEMBL7812795

CCOC(=O)c1cccc(N(C2CCNCC2)C(Oc2ccc(OCc3ccccc3)cc2)C(C)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CACNA1B Q00975 1/20 0.40
MMP13 P45452 3/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
MBTPS1 Q14703 3/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 1/20 0.37
MAOB P27338 1/20 0.37
EGFR P00533 2/20 0.37
MCL1 Q07820 1/20 0.36
CYP1A2 P05177 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
SCHEMBL7820098 0.90 CYP1A2 (0.40) L3MBTL1MBTPS1MAPTHSP90AA1CYP1A2
SCHEMBL7812791 0.82 CACNA1B (0.45) LMNAL3MBTL1CACNA1BMMP13GABRA1
SCHEMBL7822124 0.74 JMJD6 (0.36) LMNAMBTPS1MAPTMEN1KMT2A
SCHEMBL7820096 0.73 CYP1A2 (0.39) CACNA1BMAPTMEN1KMT2ACYP1A2
SCHEMBL7825521 0.72 ALDH1A1 (0.38) LMNAL3MBTL1CACNA1BMBTPS1MAPT
SCHEMBL7470311 0.70 MBTPS1 (0.33) LMNAMBTPS1CYP1A2NPC1RAB9A
SCHEMBL7456343 0.67 CA12 (0.43) LMNAMBTPS1MAPTMEN1KMT2A
SCHEMBL9367416 0.66 LMNA (1.00) LMNAL3MBTL1MAPTMAOB
SCHEMBL9621415 0.66 LMNA (1.00) LMNAL3MBTL1MAPTMAOB
SCHEMBL9469655 0.66 LMNA (1.00) LMNAL3MBTL1MAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087961-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2001-04-04 EP disclosed
WO-1999065895-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 1999-12-23 WO disclosed