SCHEMBL5208784

SCHEMBL5208784

CCOC(=O)c1ccc(N2CCC(CN)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.49
HSP90AA1 P07900 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
FDFT1 P37268 1/20 0.48
MAPK1 P28482 1/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
Hydrochloric Acid SCHEMBL6139722 0.99 HTT (0.50) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL8207095 0.88 HTT (0.52) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL378149 0.86 HPGD (0.54) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL24754432 0.85 HTT (0.50) HTTHPGDMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6139554 0.85 HPGD (0.52) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL3457437 0.85 HPGD (0.55) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL378276 0.85 TDP1 (0.60) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL22015905 0.84 HPGD (0.65) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL20188098 0.84 HPGD (0.65) HTTHPGDMEN1KMT2AALDH1A1
SCHEMBL23582930 0.84 HTT (0.55) HTTHPGDMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 EP disclosed
EP-1242083-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2002-09-25 EP disclosed
WO-2001043744-A1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-06-21 WO disclosed