SCHEMBL7825517

SCHEMBL7825517

Oc1ccc(OCC(O)CN(c2ccccn2)C2CCNCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CACNA1B Q00975 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRNA7 P36544 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ADRB3 P13945 1/20 0.35
PTGS1 P23219 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
SCHEMBL7813715 0.82 ALDH1A1 (0.45) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7820096 0.79 CYP1A2 (0.39) CACNA1BMEN1KMT2AALDH1A1RAB9A
SCHEMBL7822122 0.79 MAPT (0.36) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL20877014 0.73 SLC6A2 (0.47) PRMT5WDR77SLC6A2SLC6A4SLC6A3
SCHEMBL7825521 0.72 ALDH1A1 (0.38) CACNA1BSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL7812791 0.72 CACNA1B (0.45) CACNA1BMEN1KMT2ALMNAGAA
SCHEMBL13543051 0.70 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL20877110 0.69 ALDH1A1 (0.47) PRMT5WDR77SLC6A2SLC6A4SLC6A3
SCHEMBL4147888 0.68 SLC6A2 (0.45) CACNA1BSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7138847 0.66 ADRB3 (0.54) SLC6A2LMNAADRB3PTGS1HPGD

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