SCHEMBL10667576

SCHEMBL10667576

Cc1ccc(CCC(=O)NCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.66
▸ DRD2 P14416 13/20 0.55
▸ DRD3 P35462 13/20 0.55
▸ HDAC4 P56524 2/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ LMNA P02545 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
SCHEMBL3458346 0.87 DRD2 (0.54) ALOX5DRD2DRD3HDAC4HDAC1
Tagorizine SCHEMBL29359054 0.80 ALOX5 (1.00) ALOX5DRD2DRD3
Tagorizine SCHEMBL6008778 0.80 ALOX5 (1.00) ALOX5DRD2DRD3
Tagorizine SCHEMBL6008781 0.80 ALOX5 (1.00) ALOX5DRD2DRD3
Tagorizine SCHEMBL139324 0.80 ALOX5 (1.00) ALOX5DRD2DRD3
SCHEMBL5557294 0.79 NAMPT (0.51) ALOX5DRD2DRD3HDAC4HDAC1
SCHEMBL5557428 0.77 DRD2 (0.48) ALOX5DRD2DRD3LMNA
SCHEMBL9834884 0.77 ALOX5 (0.94) ALOX5DRD2DRD3
SCHEMBL9834879 0.77 ALOX5 (0.94) ALOX5DRD2DRD3
SCHEMBL22321657 0.75 DRD2 (0.65) ALOX5DRD2DRD3HDAC4HDAC1

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-4778796-A ω-(3-pyridyl)alkenamide derivatives and anti-allergenic pharmaceutical compositions containing same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1988-10-18 — — US disclosed
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