SCHEMBL11080596

SCHEMBL11080596

Cc1ccc(C(CCC(N)=O)C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.40
EPHX1 P07099 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.39
LTA4H P09960 1/20 0.38
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
STAT3 P40763 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL27446273 0.91 ALOX5 (0.45) ALOX5CYP2C19LMNAALDH1A1EPHX1
SCHEMBL27721218 0.88 POLB (0.48) ALOX5CYP2C19LMNAALDH1A1L3MBTL1
SCHEMBL11080465 0.86 USP5 (0.42) EPHX1L3MBTL1POLBGAAHTT
SCHEMBL11081267 0.83 CYP2C9 (0.41) ALOX5CYP2C19LMNAALDH1A1EPHX1
SCHEMBL11082974 0.82 CYP2C9 (0.42) CYP2C19LMNAEPHX1POLB
SCHEMBL11081110 0.82 EPHX1 (0.40) EPHX1GAAHTT
SCHEMBL11086283 0.82 ALOX5 (0.45) ALOX5EPHX1SMN1; SMN2
SCHEMBL11073404 0.82 EPHX1 (0.40) EPHX1
SCHEMBL3353032 0.81 EPHX1 (0.59) ALOX5CYP2C19LMNAEPHX1SMN1; SMN2
SCHEMBL14093005 0.81 ALOX5 (0.49) ALOX5CYP2C19LMNAALDH1A1L3MBTL1

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