SCHEMBL10076572

SCHEMBL10076572

CC(C)c1cccc(C(C)N2CCN(c3ccccn3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OGA O60502 8/20 0.65
KDM4E B2RXH2 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
PANK3 Q9H999 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
ADRB2 P07550 1/20 0.47
CYP2D6 P10635 1/20 0.46

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
SCHEMBL10076574 0.88 OGA (0.63) OGAKDM4ENPSR1MAPTALDH1A1
SCHEMBL6131981 0.79 OGA (0.61) OGAKDM4ENPSR1PANK3ADRB2
SCHEMBL17551302 0.79 OGA (1.00) OGA
SCHEMBL1423658 0.78 HRH3 (0.60) OGAKDM4ENPSR1NPC1GAA
SCHEMBL6131879 0.77 OGA (0.59) OGAKDM4ENPSR1MEN1KMT2A
SCHEMBL6131851 0.77 OGA (0.59) OGAKDM4ENPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL7690290 0.77 OGA (0.59) OGAKDM4ENPSR1PANK3ADRB2
Hydrochloric Acid SCHEMBL7690292 0.77 OGA (0.59) OGAKDM4ENPSR1PANK3ADRB2
SCHEMBL10053134 0.76 POLB (0.58) ALDH1A1
Hydrochloric Acid SCHEMBL6131897 0.76 OGA (0.58) OGAKDM4ENPSR1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed