SCHEMBL6132902

SCHEMBL6132902

COCCCCOc1ccc(C2CCN(c3ccc(N4CCN(c5ccc(C(=O)O)cc5)CC4)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
HRH3 Q9Y5N1 3/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ENPP2 Q13822 1/20 0.47
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HIF1A Q16665 1/20 0.45
PLA2G4B P0C869 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
ACACB O00763 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL6132953 0.90 MAPT (0.49) USP2HRH3MAPTTSHRHPGD
SCHEMBL6538491 0.89 TSHR (0.62) USP2MAPTTSHRHPGDTAAR1
Hydrochloric Acid SCHEMBL7331330 0.87 TSHR (0.57) HRH3MAPTTSHRHPGDTAAR1
Hydrochloric Acid SCHEMBL6132467 0.87 TSHR (0.57) HRH3MAPTTSHRHPGDTAAR1
SCHEMBL6132660 0.81 ADRB1 (0.50) HRH3ACACB
SCHEMBL5186756 0.80 TSHR (0.73) MAPTTSHRHPGDTAAR1HSD17B10
Hydrochloric Acid SCHEMBL7332274 0.78 TSHR (0.71) MAPTTSHRHPGDTAAR1HSD17B10
SCHEMBL7339141 0.78 TSHR (0.76) MAPTTSHRHPGDTAAR1HSD17B10
SCHEMBL6132667 0.78 HDAC3 (0.53) HRH3MAPTTSHRHPGDHSD17B10
SCHEMBL7615805 0.78 KMT2A (0.55) HRH3MAPTTSHRHPGDTAAR1

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