SCHEMBL7470143

SCHEMBL7470143

CCOC(=O)c1ccc(N(C[C@@H](O)COc2cccc(N)c2N)C2CCNCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAOA P21397 1/20 0.34
ADRB2 P07550 4/20 0.34
NMT2 O60551 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
NMT1 P30419 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33

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
SCHEMBL7473197 0.88 HRH3 (0.33) MAPTADRB2NMT2ADRB1ADRB3
SCHEMBL7468045 0.83 MAPT (0.34) MAPTADRB2NMT2ADRB1ADRB3
SCHEMBL7460652 0.83 MAPT (0.34) MAPTADRB2NMT2ADRB1ADRB3
SCHEMBL7465477 0.78 MAPT (0.35) MAPTKDM4EALDH1A1KMT2A
SCHEMBL7470148 0.76 LMNA (0.34) MAPTLMNACYP1A2CYP3A4MAOA
SCHEMBL7553552 0.74 MAPT (0.35) MAPTLMNAKDM4EMEN1USP2
SCHEMBL7460844 0.74 TLR4 (0.32) MAPT
SCHEMBL7469316 0.73 ADRB3 (0.42) MAPTLMNACYP1A2ADRB2ADRB1
SCHEMBL7473202 0.72 HRH3 (0.34) MAPTLMNACYP1A2CYP3A4MAOA
SCHEMBL6309214 0.71 MEN1 (0.46) MAPTLMNACYP1A2CYP3A4ADRB2

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-1214313-A2 HETEROARYLOXY PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-06-19 EP disclosed
WO-2001017989-A2 HETEROARYLOXYPROPANOLAMINES AS BETA3-ADRENERGIC RECEPTOR AGONISTS SANOFI-SYNTHELABO (FR) 2001-03-15 WO disclosed