SCHEMBL6131879

SCHEMBL6131879

COc1ccc(C(C)N2CCN(c3ccccn3)CC2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 4/20 0.59
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 8/20 0.48
HSD17B10 Q99714 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
Hydrochloric Acid SCHEMBL6131897 0.99 OGA (0.58) OGAALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL6131851 0.84 OGA (0.59) OGAALDH1A1KDM4EHSD17B10ACHE
SCHEMBL6131981 0.84 OGA (0.61) OGAKDM4ENPSR1
SCHEMBL7697105 0.84 OGA (0.52) OGAALDH1A1ACHEMEN1KMT2A
Water SCHEMBL7685626 0.83 OGA (0.58) OGAALDH1A1KDM4EHSD17B10ACHE
Water SCHEMBL6131870 0.83 OGA (0.58) OGAALDH1A1KDM4EHSD17B10ACHE
Hydrochloric Acid SCHEMBL7690290 0.82 OGA (0.59) OGAKDM4ENPSR1
Hydrochloric Acid SCHEMBL7690292 0.82 OGA (0.59) OGAKDM4ENPSR1
Hydrochloric Acid SCHEMBL7688425 0.79 OGA (0.51) OGAALDH1A1KDM4EHSD17B10CYP2C9
SCHEMBL10076572 0.77 OGA (0.65) OGAALDH1A1KDM4ENPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP claimed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP claimed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO claimed