SCHEMBL7692913

SCHEMBL7692913

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.39
LPAR5 Q9H1C0 4/20 0.39
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.35
MET P08581 3/20 0.35
ABCB1 P08183 2/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL7693571 0.94 LPAR1 (0.39) LPAR1LPAR5ALDH1A1CYP1A2CYP2D6
SCHEMBL7686803 0.94 ALDH1A1 (0.39) LPAR1LPAR5ALDH1A1CYP1A2CYP2D6
SCHEMBL7686564 0.93 LPAR1 (0.43) LPAR1LPAR5ALDH1A1CYP1A2CYP2D6
SCHEMBL6488702 0.91 LPAR1 (0.39) LPAR1LPAR5ALDH1A1CYP1A2CYP2D6
SCHEMBL7692473 0.91 MET (0.38) LPAR1LPAR5ALDH1A1CYP1A2CYP2D6
SCHEMBL7693432 0.90 MET (0.39) LPAR1LPAR5ALDH1A1CYP1A2CYP2D6
SCHEMBL6478360 0.90 MAPT (0.39) LPAR1LPAR5ALDH1A1CYP1A2CYP2D6
SCHEMBL7687505 0.89 MET (0.38) LPAR1LPAR5ALDH1A1CYP1A2CYP2D6
SCHEMBL7686458 0.89 ALDH1A1 (0.35) LPAR1LPAR5ALDH1A1CYP1A2CYP2D6
SCHEMBL7689561 0.89 MET (0.40) LPAR1LPAR5ALDH1A1CYP1A2CYP2D6

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