SCHEMBL6131995

SCHEMBL6131995

CNC(=O)Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HSD17B10 Q99714 3/20 0.61
LMNA P02545 2/20 0.61
HPGD P15428 2/20 0.61
ALDH1A1 P00352 2/20 0.61
USP2 O75604 1/20 0.61
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
FAAH O00519 1/20 0.56
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 2/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 1/20 0.51

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 SCHEMBL6131860 0.99 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HSD17B10LMNAHPGD
SCHEMBL6131904 0.89 ALDH1A1 (0.56) MAPTSMN1; SMN2HSD17B10LMNAHPGD
SCHEMBL6131846 0.89 SMN1; SMN2 (0.70) MAPTSMN1; SMN2HSD17B10LMNAHPGD
SCHEMBL6131943 0.88 KDM4E (0.63) SMN1; SMN2LMNAALDH1A1KMT2ATSHR
SCHEMBL6131959 0.87 PPARD (0.58) MAPTSMN1; SMN2HSD17B10LMNAHPGD
SCHEMBL6132010 0.86 GAA (0.62) SMN1; SMN2ALDH1A1KMT2AMEN1FAAH
SCHEMBL6131830 0.86 KDM4E (0.62) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL6131861 0.86 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1FAAHTSHR
SCHEMBL6131992 0.86 KMT2A (0.60) MAPTSMN1; SMN2LMNAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6132030 0.86 PPARD (0.57) MAPTSMN1; SMN2HSD17B10LMNAHPGD

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