SCHEMBL6132814

SCHEMBL6132814

COCCCCCCOc1ccc(N2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.61
HTR3E A5X5Y0 3/20 0.61
HTR3B O95264 3/20 0.61
HTR3A P46098 3/20 0.61
HTR3D Q70Z44 3/20 0.61
HTR3C Q8WXA8 3/20 0.61
SIGMAR1 Q99720 3/20 0.61
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
LTA4H P09960 4/20 0.50
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TGFBR1 P36897 1/20 0.43

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
SCHEMBL872363 0.91 ADRB1 (0.65) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL23355832 0.89 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL22638136 0.89 ADRB1 (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7331350 0.88 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30020652 0.88 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6132660 0.87 ADRB1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14922261 0.87 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL6539950 0.87 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11498486 0.86 ADRB1 (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8551038 0.86 ADRB1 (0.62) ADRB1HTR3EHTR3BHTR3AHTR3D

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