SCHEMBL3900599

SCHEMBL3900599

[O]C1CCN(C(=O)Oc2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.76
NPC1 O15118 3/20 0.69
RAB9A P51151 2/20 0.69
MGLL Q99685 1/20 0.58
KMT2A Q03164 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
MEN1 O00255 3/20 0.57
LMNA P02545 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 2/20 0.55
TSHR P16473 2/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
ALOX15 P16050 1/20 0.55
POLB P06746 1/20 0.55
NPY2R P49146 1/20 0.55
CHRNA7 P36544 1/20 0.54
HTR3A P46098 1/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL6880743 0.88 NPC1 (0.88) GAANPC1RAB9AMGLLKMT2A
SCHEMBL10663794 0.88 GAA (0.73) GAANPC1RAB9AMGLLKMT2A
SCHEMBL28785029 0.88 GAA (0.73) GAANPC1RAB9AMGLLKMT2A
SCHEMBL11882343 0.87 MGLL (0.72) GAANPC1RAB9AMGLLKMT2A
SCHEMBL26608738 0.86 GAA (0.71) GAANPC1RAB9AMGLLKMT2A
SCHEMBL11552934 0.86 GAA (0.71) GAANPC1RAB9AMGLLKMT2A
SCHEMBL470967 0.86 GAA (1.00) GAANPC1RAB9AMGLLKMT2A
SCHEMBL15140609 0.85 GAA (0.69) GAANPC1RAB9AMGLLKMT2A
SCHEMBL12745808 0.85 GAA (0.69) GAANPC1RAB9AMGLLKMT2A
SCHEMBL1502158 0.83 GAA (0.68) GAANPC1RAB9AMGLLKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP claimed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP claimed
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed