SCHEMBL6301113

SCHEMBL6301113

CCCCNC(=O)c1ccc(N2CCC(NC[C@H](O)COc3cccc(N)c3N)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.43
ADRB2 P07550 5/20 0.42
ADRB1 P08588 5/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
CASR P41180 2/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL6303591 0.89 ADRB3 (0.42) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6309214 0.86 MEN1 (0.46) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6301116 0.85 CASR (0.41) ADRB3ADRB2ADRB1POLBHDAC3
SCHEMBL6301065 0.84 ADRB3 (0.61) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL5210082 0.76 ADRB3 (0.61) ADRB3ADRB2ADRB1
SCHEMBL6307432 0.76 HRH3 (0.48) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6303671 0.76 HRH3 (0.48) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6308613 0.75 MAPT (0.42) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL6303593 0.74 CASR (0.39) ADRB3KMT2APOLBCASRLMNA
SCHEMBL6309219 0.72 ADRB1 (0.39) ADRB3ADRB2ADRB1MEN1KMT2A

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
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