SCHEMBL6132615

SCHEMBL6132615

COCCCCCCSC1CCN(c2ccc(N3CCNCC3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.44
HTR3E A5X5Y0 3/20 0.44
HTR3B O95264 3/20 0.44
HTR3A P46098 3/20 0.44
HTR3D Q70Z44 3/20 0.44
HTR3C Q8WXA8 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
LTA4H P09960 4/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
ADRB2 P07550 1/20 0.35
NCF1 P14598 1/20 0.35
PLD1 Q13393 1/20 0.35
TGFBR1 P36897 1/20 0.34

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
SCHEMBL6132838 0.81 GFER (0.45)
SCHEMBL6132901 0.81 USP2 (0.50)
SCHEMBL7417183 0.80 KDM4E (0.34) SIGMAR1
SCHEMBL6132509 0.80 ADRB1 (0.49) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6132827 0.78
SCHEMBL6132511 0.78 ALDH1A1 (0.41)
SCHEMBL6132814 0.77 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6132745 0.76 RAB9A (0.41)
SCHEMBL6132660 0.74 ADRB1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL8087261 0.71 HTR7 (0.50) 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