SCHEMBL7533753

SCHEMBL7533753

O=C(Nc1ccccc1C[C@@H](CO)N(Cc1ccccc1)C[C@H](O)COc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.43
BACE1 P56817 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP1 P29466 6/20 0.38
MAPT P10636 2/20 0.38
ABCB1 P08183 2/20 0.38
CASR P41180 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6542153 0.87 MEN1 (0.48) BACE1MEN1KMT2APOLB
SCHEMBL6542157 0.87 MEN1 (0.48) BACE1MEN1KMT2APOLB
SCHEMBL6538563 0.75 ADRB1 (0.54) MEN1KMT2ASMN1; SMN2
SCHEMBL6538732 0.74 ADRB1 (0.50) MEN1KMT2ASMN1; SMN2
SCHEMBL6538833 0.73 ADRB3 (0.61) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL6538597 0.73 NR1H4 (0.48) MEN1KMT2A
SCHEMBL6540060 0.72 ADRB1 (0.48) MEN1KMT2APOLB
SCHEMBL6538663 0.72 ADRB1 (0.48) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL7037437 0.71 ALDH1A1 (0.52) MAPTABCB1POLBSMN1; SMN2ALDH1A1
SCHEMBL6539058 0.71 ADRB1 (0.45) MAPTPOLB

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
WO-2002024635-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-28 WO disclosed