SCHEMBL6132583

SCHEMBL6132583

N#Cc1ccc(N2CCC(OC3CCCCC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
MEN1 O00255 1/20 0.41
PARP1 P09874 1/20 0.40
CCR5 P51681 1/20 0.39
DPP4 P27487 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 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
SCHEMBL5209493 0.85 HRH3 (0.60) HRH3KDM4ETP53MEN1
Hydrochloric Acid SCHEMBL5208875 0.85 KDM4E (0.47) HRH3KDM4ETP53CHRNA10CHRNA9
Hydrochloric Acid SCHEMBL5214091 0.84 HRH3 (0.59) HRH3KDM4ETP53MEN1
SCHEMBL5212927 0.82 HRH3 (0.64) HRH3KDM4ETP53CHRNA10CHRNA9
Hydrochloric Acid SCHEMBL5211632 0.81 HRH3 (0.63) HRH3KDM4ETP53CHRNA10CHRNA9
SCHEMBL6132921 0.81 ADRB1 (0.49) KDM4E
SCHEMBL20346944 0.81 KDM4E (0.53) HRH3KDM4ETP53CHRNA10CHRNA9
SCHEMBL3094565 0.78 KDM1A (0.43) HRH3GPR119
SCHEMBL139427 0.77 KDM4E (0.66) HRH3KDM4ETP53CHRNA10CHRNA9
SCHEMBL149656 0.77 KDM4E (0.66) HRH3KDM4ETP53CHRNA10CHRNA9

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