SCHEMBL6132970

SCHEMBL6132970

C[C@@H]1CN(c2ccc(C(=O)NN)cc2)C[C@H](C)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KDM4E B2RXH2 2/20 0.50
AOC2 O75106 1/20 0.47
KCNH2 Q12809 1/20 0.46
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 2/20 0.44
MPO P05164 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDM5A P29375 1/20 0.43
BLM P54132 1/20 0.43
GFER P55789 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6132972 1.00 MAPT (0.52) MAPTKDM4EAOC2KCNH2MAPK1
SCHEMBL2771145 0.83 MAPT (0.53) MAPTKCNH2ALDH1A1RAB9ANPSR1
SCHEMBL7517442 0.82 MAPT (0.52) MAPTKDM4EALDH1A1RAB9APOLB
Hydrochloric Acid SCHEMBL16210291 0.81 MAPT (0.51) MAPTKCNH2ALDH1A1RAB9ANPSR1
SCHEMBL607498 0.81 USP2 (0.58) MAPTKDM4EALDH1A1RAB9ACA1
SCHEMBL13069950 0.81 MAPT (0.54) MAPTKDM4EALDH1A1RAB9ANPSR1
Hydrochloric Acid SCHEMBL7457211 0.81 MAPT (0.51) MAPTKDM4EALDH1A1RAB9APOLB
SCHEMBL6132730 0.80 MAPT (0.52) MAPTKDM4EKCNH2ALDH1A1RAB9A
SCHEMBL6132728 0.80 MAPT (0.52) MAPTKDM4EKCNH2ALDH1A1RAB9A
SCHEMBL13971444 0.79 NPC1 (0.57) KDM4EMAPK1ALDH1A1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed