SCHEMBL7820096

SCHEMBL7820096

CCOC(=O)c1cccc(N(CC(O)COc2ccc(O)cc2)C2CCNCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GALR3 O60755 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
USP2 O75604 1/20 0.34
HTR2A P28223 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CACNA1B Q00975 1/20 0.34
RECQL P46063 1/20 0.34
RAD52 P43351 1/20 0.34

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
SCHEMBL7812791 0.92 CACNA1B (0.45) CYP1A2MAPTSMN1; SMN2TSHRMAPK1
SCHEMBL7822122 0.83 MAPT (0.36) MAPTALDH1A1SMN1; SMN2GALR3TSHR
SCHEMBL7825517 0.79 PRMT5 (0.40) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL7820098 0.78 CYP1A2 (0.40) CYP1A2MAPTSMN1; SMN2RAB9AHTR2A
SCHEMBL7456333 0.74 SLC6A2 (0.43) MAPTALDH1A1TSHRHTR2AMEN1
SCHEMBL7470305 0.73 MAPT (0.37) MAPTALDH1A1SMN1; SMN2GALR3TSHR
SCHEMBL7812795 0.73 LMNA (0.46) CYP1A2MAPTRAB9AMEN1KMT2A
SCHEMBL7813715 0.72 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL7473197 0.70 HRH3 (0.33) MAPTALDH1A1
SCHEMBL7073107 0.69 ADRB3 (0.51) MAPTALDH1A1MAPK1MEN1KMT2A

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