SCHEMBL6132619

SCHEMBL6132619

CCCSC1CCN(c2ccc(N3CCN(c4ccc(C(=O)O)cc4)CC3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.42
CHEK1 O14757 2/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.42
HDAC3 O15379 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
ENPP2 Q13822 1/20 0.40
HSD11B1 P28845 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HPGDS O60760 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6132520 0.85 HTT (0.47) KDM4EKMT2AALDH1A1MAPK1HPGD
SCHEMBL6132901 0.82 USP2 (0.50) USP2KDM4EKMT2AALDH1A1CHEK1
SCHEMBL6132244 0.79 MAPT (0.50) USP2KDM4EKMT2AALDH1A1MAPK1
SCHEMBL6132509 0.77 ADRB1 (0.49) USP2KDM4EALDH1A1
SCHEMBL7911517 0.77 USP2 (0.65) USP2KDM4EALDH1A1CHEK1HDAC3
SCHEMBL23051536 0.77 USP2 (0.69) USP2KDM4EKMT2AALDH1A1CHEK1
SCHEMBL23610369 0.75 KDM4E (0.71) USP2KDM4EKMT2AALDH1A1CHEK1
SCHEMBL17737082 0.75 KDM4E (0.71) USP2KDM4EKMT2AALDH1A1CHEK1
SCHEMBL1749891 0.75 USP2 (1.00) USP2KDM4EKMT2AALDH1A1CHEK1
SCHEMBL23051553 0.74 USP2 (0.69) USP2KDM4EKMT2AALDH1A1CHEK1

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