SCHEMBL10076574

SCHEMBL10076574

Cc1cccc(C(C)N2CCN(c3ccccn3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OGA O60502 5/20 0.63
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.54
KCNH2 Q12809 1/20 0.52
KDM4E B2RXH2 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
BACE1 P56817 2/20 0.51
ACHE P22303 1/20 0.51
DRD4 P21917 3/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL10076572 0.88 OGA (0.65) OGAALDH1A1KDM4ENPSR1MAPT
SCHEMBL17551302 0.78 OGA (1.00) OGA
SCHEMBL6131981 0.78 OGA (0.61) OGAKDM4ENPSR1DRD2DRD3
SCHEMBL1423658 0.77 HRH3 (0.60) OGAALDH1A1KDM4ENPSR1POLB
Hydrochloric Acid SCHEMBL7690290 0.76 OGA (0.59) OGAKDM4ENPSR1DRD2DRD3
SCHEMBL6131879 0.76 OGA (0.59) OGAALDH1A1HPGDKDM4ENPSR1
Hydrochloric Acid SCHEMBL7690292 0.76 OGA (0.59) OGAKDM4ENPSR1DRD2DRD3
SCHEMBL6131851 0.76 OGA (0.59) OGAALDH1A1HPGDKDM4ENPSR1
SCHEMBL15830258 0.75 MC4R (0.66) OGAKCNH2ACHEDRD3MAPT
Hydrochloric Acid SCHEMBL6131897 0.75 OGA (0.58) OGAALDH1A1HPGDKDM4ENPSR1

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