SCHEMBL7470305

SCHEMBL7470305

CCOC(=O)c1ccc(N(CC(O)COc2ccc(N)nc2)C2CCNCC2)nc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ADRB3 P13945 2/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
GALR3 O60755 1/20 0.34
GAA P10253 3/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ABCB1 P08183 1/20 0.33
MAPK14 Q16539 1/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 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
SCHEMBL7473197 0.84 HRH3 (0.33) MAPTADRB3ALDH1A1ADRB2ADRB1
SCHEMBL7469205 0.81 SMN1; SMN2 (0.39) MAPTADRB3ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7470311 0.80 MBTPS1 (0.33) POLBRAB9AMAPK14LMNANPC1
SCHEMBL7465477 0.80 MAPT (0.35) MAPTPOLBALDH1A1MAPK1SMN1; SMN2
SCHEMBL7827854 0.78 RXRA (0.36) MAPTADRB3ALDH1A1MAPK1TSHR
SCHEMBL7469316 0.78 ADRB3 (0.42) MAPTADRB3ADRB2ADRB1LMNA
SCHEMBL7468835 0.78 TLR4 (0.32) MAPT
SCHEMBL7460844 0.78 TLR4 (0.32) MAPT
SCHEMBL7823802 0.77 BRD4 (0.36) MAPTPOLBALDH1A1MAPK1TSHR
SCHEMBL7822122 0.76 MAPT (0.36) MAPTPOLBALDH1A1MAPK1TSHR

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