SCHEMBL7820098

SCHEMBL7820098

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
MAPT P10636 3/20 0.37
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 3/20 0.34
MBTPS1 Q14703 3/20 0.33
HTR2A P28223 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MC4R P32245 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL7812795 0.90 LMNA (0.46) CYP1A2MAPTMBTPS1NPC1RAB9A
SCHEMBL7822124 0.82 JMJD6 (0.36) MAPTSLC6A2SLC6A4SLC6A3MBTPS1
SCHEMBL7820096 0.78 CYP1A2 (0.39) CYP1A2MAPTHTR2ARAB9ASMN1; SMN2
SCHEMBL7825521 0.77 ALDH1A1 (0.38) MAPTSLC6A2SLC6A4SLC6A3MBTPS1
SCHEMBL7456343 0.74 CA12 (0.43) MAPTSLC6A2SLC6A4SLC6A3MBTPS1
SCHEMBL7470311 0.72 MBTPS1 (0.33) CYP1A2SLC6A2SLC6A4SLC6A3MBTPS1
SCHEMBL7812791 0.71 CACNA1B (0.45) CYP1A2MAPTMBTPS1RAB9AKDM4E
SCHEMBL7813717 0.70 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7459899 0.69 MAPT (0.37) MAPTSLC6A2SLC6A4MBTPS1RAB9A
SCHEMBL28801510 0.67 CYP1A2 (0.59) CYP1A2MAPTKDM4E

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