SCHEMBL6132420

SCHEMBL6132420

CC1CN(c2ccccc2N2CCNCC2)CC(C)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.54
HTR6 P50406 3/20 0.50
HTR3A P46098 3/20 0.50
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
DRD2 P14416 1/20 0.50
CYP2C19 P33261 1/20 0.50
DRD3 P35462 1/20 0.50
HTR7 P34969 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
HTR1A P08908 3/20 0.47
HTR2A P28223 2/20 0.47
HTR5A P47898 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
NCF1 P14598 1/20 0.47

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
SCHEMBL6132413 1.00 ADRB1 (0.54) ADRB1HTR6HTR3AHTR3EHTR3B
SCHEMBL6582487 0.89 ADRB1 (0.59) ADRB1HTR6HTR3AHTR3EHTR3B
SCHEMBL15834279 0.80 ADRB1 (0.75) ADRB1HTR6HTR3AHTR3EHTR3B
SCHEMBL6132417 0.79 ADRB1 (0.56) ADRB1HTR6HTR3AHTR3EHTR3B
SCHEMBL6132422 0.79 ADRB1 (0.56) ADRB1HTR6HTR3AHTR3EHTR3B
SCHEMBL17276365 0.74 ADRB1 (0.67) ADRB1HTR6HTR3AHTR3EHTR3B
SCHEMBL22652955 0.74 ADRB1 (0.67) ADRB1HTR6HTR3AHTR3EHTR3B
SCHEMBL3070877 0.74 KMT2A (0.56) LMNAMAPTTSHRHSD17B10KDM4E
SCHEMBL2771146 0.74 KMT2A (0.56) LMNAMAPTTSHRHSD17B10KDM4E
SCHEMBL3090131 0.74 KMT2A (0.56) LMNAMAPTTSHRHSD17B10KDM4E

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