SCHEMBL7449486

SCHEMBL7449486

O=C(O)N1CCN(CCCCCc2ncc[nH]2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.56
ALOX15 P16050 1/20 0.45
SIGMAR1 Q99720 2/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1A P08908 3/20 0.37
HTR7 P34969 3/20 0.37
DRD4 P21917 2/20 0.37
HTR2B P41595 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PLA2G2A P14555 1/20 0.36
TERT O14746 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL7447625 0.84 TBXAS1 (0.63) TBXAS1ALOX15FNTAFNTBPRMT5
SCHEMBL27279466 0.77 ALOX15 (0.49) TBXAS1ALOX15SIGMAR1HTR1DHTR1B
SCHEMBL8776471 0.76 HTR1A (0.56) ALOX15HTR1AHTR7DRD4DRD2
SCHEMBL9866240 0.75 ALOX15 (0.53) TBXAS1ALOX15HTR1DHTR1BTERT
SCHEMBL7100019 0.74 ALOX15 (0.51) TBXAS1ALOX15HTR1DHTR1BHRH1
Bicarbonate SCHEMBL28339489 0.73 TBXAS1 (0.48) TBXAS1ALOX15SIGMAR1TERTHRH3
SCHEMBL503743 0.72 TBXAS1 (0.69) TBXAS1ALOX15HTR1ATERT
SCHEMBL28062565 0.72 TBXAS1 (0.69) TBXAS1ALOX15HTR1ATERT
SCHEMBL11009198 0.72 TBXAS1 (1.00) TBXAS1TERT
SCHEMBL1091991 0.72 TBXAS1 (1.00) TBXAS1TERT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934293-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1999-08-11 EP disclosed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 WO disclosed