SCHEMBL6132905

SCHEMBL6132905

c1cc(N2CCNCC2)ccc1OCCCOC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
KCNH2 Q12809 2/20 0.48
ADRB1 P08588 3/20 0.47
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
HTR3A P46098 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
LTA4H P09960 4/20 0.44
HPGD P15428 1/20 0.41
KDM1A O60341 1/20 0.41
CYP2D6 P10635 1/20 0.40
HTR6 P50406 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 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
Hydrochloric Acid SCHEMBL6132820 0.79 MEN1 (0.52) HRH3KCNH2HPGD
SCHEMBL6132581 0.79 MAPT (0.54) HRH3KCNH2KDM1A
SCHEMBL18553743 0.79 ADRB1 (0.56) HRH3ADRB1HTR3EHTR3BHTR3A
SCHEMBL8285653 0.78 HRH3 (0.50) HRH3KCNH2SIGMAR1HPGD
Hydrochloric Acid SCHEMBL6539081 0.77 ADRB1 (0.54) HRH3ADRB1HTR3EHTR3BHTR3A
SCHEMBL8551038 0.77 ADRB1 (0.62) HRH3KCNH2ADRB1HTR3EHTR3B
SCHEMBL13437926 0.77 HRH3 (0.81) HRH3KCNH2
SCHEMBL3584179 0.77 HRH3 (0.81) HRH3KCNH2
SCHEMBL3573919 0.77 HRH3 (0.81) HRH3KCNH2
SCHEMBL13437933 0.76 ADRB1 (0.47) HRH3KCNH2ADRB1HTR3EHTR3B

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