SCHEMBL5501121

SCHEMBL5501121

NC(=O)Cc1ccc(CCCN2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.58
▸ SIGMAR1 Q99720 3/20 0.55
▸ LTA4H P09960 1/20 0.54
▸ HRH3 Q9Y5N1 11/20 0.51
▸ CHRM2 P08172 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ CACNA1C Q13936 1/20 0.48
▸ SCN5A Q14524 1/20 0.48
▸ L3MBTL1 Q9Y468 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
SCHEMBL5499377 0.89 HRH3 (0.61) HRH1SIGMAR1HRH3SLC6A3KCNH2
SCHEMBL5505020 0.86 SIGMAR1 (0.54) HRH1SIGMAR1
SCHEMBL5508040 0.84 SLC6A3 (0.58) SIGMAR1LTA4HHRH3SLC6A4SLC6A3
SCHEMBL3782542 0.82 HRH3 (0.68) HRH1HRH3
SCHEMBL18917604 0.81 LTA4H (0.75) HRH1SIGMAR1LTA4HHRH3CHRM2
SCHEMBL2741684 0.79 LTA4H (0.59) HRH1SIGMAR1LTA4HHRH3KCNH2
SCHEMBL22386773 0.79 LTA4H (0.59) HRH1SIGMAR1LTA4HHRH3KCNH2
SCHEMBL7111066 0.78 HRH3 (0.47) HRH1SIGMAR1HRH3SLC6A4SLC6A3
SCHEMBL6223200 0.78 HRH3 (0.61) HRH3L3MBTL1
SCHEMBL13271136 0.78 HRH1 (0.90) HRH1SIGMAR1LTA4HHRH3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 — — EP claimed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 — — WO claimed
EP-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 — — EP disclosed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 — — WO disclosed
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