SCHEMBL11069378

SCHEMBL11069378

NC(=O)CC(CC(N)=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.52
▸ SGMS2 Q8NHU3 5/20 0.50
▸ POLB P06746 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ RXRA P19793 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ PARP10 Q53GL7 1/20 0.45
▸ ALPG P10696 1/20 0.45
▸ PTK2B Q14289 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ SLC6A9 P48067 1/20 0.45
▸ SLC6A5 Q9Y345 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ LIPE Q05469 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
SCHEMBL11086924 0.83 L3MBTL1 (0.50) HTTPOLBNPSR1L3MBTL1ALDH1A1
SCHEMBL11077027 0.79 POLB (0.66) HTTPOLBNPSR1L3MBTL1ALDH1A1
SCHEMBL11078240 0.79 LTA4H (0.53) SGMS2L3MBTL1ALPGPTK2BHTR1A
SCHEMBL11072867 0.79 TNF (0.47) HTTPOLBNPSR1L3MBTL1ALDH1A1
SCHEMBL8317971 0.79 LIPE (0.51) HTTSGMS2L3MBTL1RXRABRD4
SCHEMBL11088374 0.78 F2 (0.49) HTTPOLBLMNA
SCHEMBL11081894 0.77 HTT (0.48) HTTSGMS2RXRAPARP1BRD4
SCHEMBL8770957 0.77 PTGER1 (0.49) SGMS2L3MBTL1BRD4ALPGPTK2B
SCHEMBL11603988 0.77 MAPT (0.55) SGMS2L3MBTL1BRD4ALPGPTK2B
SCHEMBL23210255 0.76 SGMS2 (0.48) SGMS2L3MBTL1BRD4ALPGPTK2B

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 3 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
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
Send feedback