SCHEMBL7687663

SCHEMBL7687663

CN(C)C(=O)c1cccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4ccccc4)cc3)ccnc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
LMNA P02545 4/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 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
SCHEMBL7694156 0.96 MAOB (0.38) ALDH1A1LPAR1LPAR5MEN1KMT2A
SCHEMBL7694215 0.94 POLB (0.38) ALDH1A1LPAR1LPAR5MEN1KMT2A
SCHEMBL7694610 0.91 RPS6KB1 (0.41) ALDH1A1LPAR1LPAR5MEN1KMT2A
SCHEMBL7692118 0.89 AURKA (0.37) ALDH1A1LPAR1LPAR5MEN1KMT2A
SCHEMBL7693500 0.88 ALDH1A1 (0.35) ALDH1A1LPAR1LPAR5MEN1KMT2A
SCHEMBL7688229 0.88 MEN1 (0.35) ALDH1A1LPAR1LPAR5MEN1KMT2A
SCHEMBL7686590 0.87 LMNA (0.34) ALDH1A1LPAR1LPAR5MEN1KMT2A
SCHEMBL7687331 0.86 AURKA (0.39) ALDH1A1LPAR1LPAR5MEN1KMT2A
SCHEMBL7694654 0.85 ADRB3 (0.37) LPAR1LPAR5CYP1A2CYP2D6CYP2C9
SCHEMBL7694653 0.85 ADRB3 (0.37) LPAR1LPAR5CYP1A2CYP2D6CYP2C9

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