SCHEMBL11079776

SCHEMBL11079776

CCCCSc1cccc(C(CC(N)=O)CC(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.39
MAP1LC3A Q9H492 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
CYSLTR2 Q9NS75 3/20 0.36
CYSLTR1 Q9Y271 3/20 0.36
PTGS2 P35354 3/20 0.36
PAX8 Q06710 1/20 0.36
LTB4R Q15722 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL11082671 0.81 MAOA (0.45) MAOAMAOBMAP1LC3BMAP1LC3ALNPEP
SCHEMBL11087329 0.80 MAOA (0.37) MAOAMAOBMAP1LC3BMAP1LC3ALNPEP
SCHEMBL11071975 0.76 AR (0.45) MAOAMAOBMAP1LC3BMAP1LC3ALNPEP
SCHEMBL11076375 0.75 MAOA (0.40) MAOAMAOBMAP1LC3BMAP1LC3ALNPEP
SCHEMBL1710869 0.74 MAOA (0.41) MAOAMAOBLNPEPALDH1A1LMNA
SCHEMBL3390734 0.74 MAOA (0.41) MAOAMAOBLNPEPALDH1A1LMNA
SCHEMBL13459732 0.72 MAOA (0.46) MAOAMAOBMAP1LC3BMAP1LC3ALNPEP
SCHEMBL11083428 0.72 KMT2A (0.52) ALDH1A1L3MBTL1LMNACYSLTR2CYSLTR1
SCHEMBL11076101 0.72 CYSLTR2 (0.51) MAOBALDH1A1CYSLTR2CYSLTR1PTGS2
SCHEMBL11077922 0.72 ALDH1A1 (0.44) ALDH1A1L3MBTL1PTGS2

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