SCHEMBL6132422

SCHEMBL6132422

C[C@@H]1CN(c2ccc(N3CCNCC3)cc2)C[C@H](C)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.56
HTR3E A5X5Y0 4/20 0.52
HTR3B O95264 4/20 0.52
HTR3A P46098 4/20 0.52
HTR3D Q70Z44 4/20 0.52
HTR3C Q8WXA8 4/20 0.52
SIGMAR1 Q99720 4/20 0.52
MAPT P10636 2/20 0.51
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
HTR5A P47898 1/20 0.46
LTA4H P09960 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
RAB9A P51151 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 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
SCHEMBL6132417 1.00 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6132413 0.79 ADRB1 (0.54) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6132420 0.79 ADRB1 (0.54) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5570604 0.78 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL12799184 0.77 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL24352865 0.77 MAPT (0.57) ADRB1MAPTALDH1A1KDM4ELMNA
SCHEMBL18436831 0.77 MAPT (0.57) ADRB1MAPTALDH1A1KDM4ELMNA
SCHEMBL7790503 0.77 MAPT (0.57) ADRB1MAPTALDH1A1KDM4ELMNA
SCHEMBL327800 0.77 MAPT (0.57) ADRB1MAPTALDH1A1KDM4ELMNA
SCHEMBL23731989 0.77 MAPT (0.57) ADRB1MAPTALDH1A1KDM4ELMNA

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