SCHEMBL6132758

SCHEMBL6132758

c1cc(N2CCC3(CC2)OCCO3)ccc1N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.52
ADRB1 P08588 7/20 0.52
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
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
USP2 O75604 2/20 0.46
CYP2D6 P10635 1/20 0.46
LTA4H P09960 4/20 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
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL31198876 0.83 LGMN (0.45) LGMNADRB1HTR3EHTR3BHTR3A
SCHEMBL6132755 0.83 ADRB1 (0.51) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14117662 0.80 LGMN (0.54) LGMNADRB1USP2ALDH1A1KDM4E
SCHEMBL974758 0.80 LGMN (0.54) LGMNALDH1A1KDM4ELMNA
SCHEMBL3795448 0.80 LGMN (0.54) LGMNALDH1A1KDM4ELMNATSHR
SCHEMBL1982163 0.80 LGMN (0.61) LGMNUSP2ALDH1A1KDM4ELMNA
SCHEMBL5546662 0.80 POLB (0.55) LGMNADRB1HTR3EHTR3BHTR3A
SCHEMBL5539112 0.80 LGMN (0.54) LGMNALDH1A1KDM4ELMNA
SCHEMBL31380531 0.80 LGMN (0.54) LGMNLTA4HALDH1A1KDM4ELMNA
SCHEMBL612022 0.79 LMNA (0.55) LGMNADRB1HTR3EHTR3BHTR3A

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 1 patent. 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