SCHEMBL5510481

SCHEMBL5510481

NC(=O)Cc1ccc(CCN2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.55
▸ POLB P06746 2/20 0.53
▸ SIGMAR1 Q99720 3/20 0.53
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ L3MBTL3 Q96JM7 1/20 0.47
▸ EPHX2 P34913 1/20 0.45
▸ CA2 P00918 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL25378778 0.86 SIGMAR1 (0.54) AOC3POLBSIGMAR1KMT2AALDH1A1
SCHEMBL5499377 0.85 HRH3 (0.61) SIGMAR1L3MBTL3CA2
SCHEMBL3514227 0.84 THRA (0.53) AOC3POLBSIGMAR1KMT2AALDH1A1
SCHEMBL1395845 0.81 LTA4H (0.61) ALDH1A1KDM4EEPHX2CA2
SCHEMBL64409 0.79 THRA (0.54) POLBSIGMAR1KMT2AALDH1A1THRA
SCHEMBL15752632 0.79 SMN1; SMN2 (0.55) POLBKMT2AALDH1A1CA2MAPT
SCHEMBL22711455 0.78 SIGMAR1 (0.60) POLBSIGMAR1KMT2ATHRATHRB
SCHEMBL23235098 0.78 SIGMAR1 (0.60) POLBSIGMAR1KMT2ATHRATHRB
SCHEMBL321095 0.78 SIGMAR1 (0.60) POLBSIGMAR1KMT2AALDH1A1L3MBTL3
SCHEMBL82402 0.78 HRH3 (0.70) POLBSIGMAR1ALDH1A1L3MBTL3MAPT

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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