SCHEMBL11073057

SCHEMBL11073057

NC(=O)CCC(C(N)=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.57
PARP10 Q53GL7 1/20 0.55
LTA4H P09960 2/20 0.53
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50

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
SCHEMBL11079578 0.86 KMT2A (0.58) ALOX5LTA4HFFAR1NR4A2
SCHEMBL27370666 0.84 ALOX5 (0.55) ALOX5PARP10LTA4HFFAR1FFAR4
SCHEMBL27370664 0.84 ALOX5 (0.55) ALOX5PARP10LTA4HFFAR1FFAR4
SCHEMBL3353032 0.81 EPHX1 (0.59) ALOX5
SCHEMBL11084678 0.80 PARP10 (0.50) PARP10
SCHEMBL11081894 0.78 HTT (0.48) PARP10LTA4H
SCHEMBL5352880 0.78 LTA4H (0.62) ALOX5PARP10LTA4HFFAR1FFAR4
SCHEMBL11080561 0.78 MMP9 (0.64)
SCHEMBL11081564 0.78 MMP9 (0.56)
SCHEMBL11075150 0.77 PARP10 (0.60) ALOX5PARP10FFAR1NR4A1NR4A2

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-0024776-B1 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1984-12-27 EP disclosed
US-4322421-A 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1982-03-30 US disclosed
US-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 US disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 EP disclosed