SCHEMBL7902912

SCHEMBL7902912

CC(=O)O[C@@H](C(=O)Nc1ccc(N)cc1)[C@H]1OCCN(c2ccc(C)cc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F9 P00740 11/20 0.60
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
FPR2 P25090 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
FPR1 P21462 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
F10 P00742 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
SCHEMBL12570020 0.89 F9 (0.48) F9FPR2FPR1
SCHEMBL15103463 0.82 F9 (0.47) F9FPR2ALDH1A1MAPT
SCHEMBL1948937 0.81 F9 (0.53) F9FPR2FPR1F10
SCHEMBL1948295 0.80 F9 (0.71) F9FPR2FPR1F10
SCHEMBL7905366 0.79 F9 (0.44) F9FPR2FPR1
SCHEMBL12546579 0.79 F9 (0.44) F9FPR2FPR1
SCHEMBL7907458 0.78 F9 (0.43) F9FPR2FPR1MAPT
SCHEMBL7897015 0.77 F9 (0.42) F9FPR2MAPT
SCHEMBL1946906 0.77 F9 (0.49) F9F10
SCHEMBL12786699 0.77 F9 (0.76) F9TP53NPC1PKMMAPK1

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-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed