SCHEMBL7693355

SCHEMBL7693355

O=C(c1ccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4ccccc4)cc3)ccnc2c1)N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 2/20 0.37
OPRM1 P35372 1/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 3/20 0.36
MET P08581 3/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
ABCB1 P08183 4/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
BCHE P06276 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL7694004 0.94 NPC1 (0.41) MEN1ALDH1A1KMT2AHPGDLPAR1
SCHEMBL7691406 0.93 SMN1; SMN2 (0.41) MEN1ALDH1A1KMT2AMAPK1NPC1
SCHEMBL7686564 0.90 LPAR1 (0.43) ALDH1A1LPAR1LPAR5METAXL
SCHEMBL6488702 0.89 LPAR1 (0.39) MEN1ALDH1A1KMT2AOPRM1LPAR1
SCHEMBL7693432 0.87 MET (0.39) MEN1ALDH1A1KMT2AOPRM1LPAR1
SCHEMBL7692913 0.87 LPAR1 (0.39) MEN1ALDH1A1KMT2AHPGDLPAR1
SCHEMBL7692473 0.86 MET (0.38) MEN1ALDH1A1KMT2AOPRM1LPAR1
SCHEMBL6478360 0.86 MAPT (0.39) MEN1ALDH1A1KMT2ALPAR1LPAR5
SCHEMBL7687505 0.85 MET (0.38) MEN1ALDH1A1KMT2AHPGDOPRM1
SCHEMBL7686803 0.85 ALDH1A1 (0.39) MEN1ALDH1A1KMT2AHPGDLPAR1

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-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed