SCHEMBL6301392

SCHEMBL6301392

CCOC(=O)c1ccc(N2CCC(NCC(O)COc3ccc(N)nc3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 2/20 0.45
P2RY12 Q9H244 1/20 0.45
ADRB3 P13945 3/20 0.44
MAPT P10636 2/20 0.43
USP30 Q70CQ3 3/20 0.41
OGA O60502 1/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PRMT5 O14744 2/20 0.40

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
SCHEMBL7469004 0.89 ADRB3 (0.52) HRH3LMNAP2RY12ADRB3MAPT
SCHEMBL7473044 0.89 ADRB3 (0.52) HRH3LMNAP2RY12ADRB3MAPT
SCHEMBL7560376 0.85 LMNA (0.56) HRH3LMNAP2RY12ADRB3MAPT
SCHEMBL7469677 0.84 ADRB1 (0.46) HRH3LMNAP2RY12ADRB3MAPT
SCHEMBL6303671 0.84 HRH3 (0.48) HRH3LMNAP2RY12ADRB3MAPT
SCHEMBL6307432 0.84 HRH3 (0.48) HRH3LMNAP2RY12ADRB3MAPT
SCHEMBL6953322 0.83 HRH3 (0.44) HRH3LMNAP2RY12ADRB3OGA
SCHEMBL7467963 0.83 LMNA (0.44) HRH3LMNAP2RY12ADRB3MAPT
SCHEMBL7458989 0.82 HRH3 (0.43) HRH3LMNAP2RY12ADRB3USP30
SCHEMBL6301395 0.82 HRH3 (0.53) HRH3P2RY12USP30OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858629-B1 Heteroaryloxy propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2005-02-22 US claimed
EP-1214313-B1 HETEROARYLOXY PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-06-30 EP claimed
US-6858629-B1 Heteroaryloxy propanolamines, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2005-02-22 US disclosed
EP-1214313-B1 HETEROARYLOXY PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-06-30 EP disclosed