SCHEMBL5499377

SCHEMBL5499377

NC(=O)Cc1ccc(CCN2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.61
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ MBTD1 Q05BQ5 1/20 0.58
▸ L3MBTL3 Q96JM7 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CA2 P00918 1/20 0.48
▸ KCNJ1 P48048 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ HRH1 P35367 1/20 0.46

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
SCHEMBL5501121 0.89 HRH1 (0.58) HRH3L3MBTL1SLC6A3SIGMAR1KCNH2
SCHEMBL5510481 0.85 AOC3 (0.55) L3MBTL3SIGMAR1CA2
SCHEMBL6644138 0.83 HRH3 (0.58) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL6223200 0.82 HRH3 (0.61) HRH3L3MBTL1MBTD1L3MBTL3CA2
SCHEMBL2761915 0.81 HRH3 (0.61) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL2762023 0.81 HRH3 (0.61) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL7453093 0.79 HRH3 (0.61) HRH3L3MBTL1MBTD1L3MBTL3SLC6A3
SCHEMBL6224393 0.79 HRH3 (0.55) HRH3L3MBTL1MBTD1L3MBTL3CA2
SCHEMBL5505020 0.78 SIGMAR1 (0.54) SIGMAR1KCNJ1HRH1
SCHEMBL3782542 0.77 HRH3 (0.68) HRH3HRH1

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
Send feedback