SCHEMBL11075944

SCHEMBL11075944

NC(=O)CCC(C(N)=O)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.39
KMT2A Q03164 2/20 0.38
AOC3 Q16853 1/20 0.38
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
CASP1 P29466 1/20 0.36
ATM Q13315 1/20 0.36
ACP3 P15309 1/20 0.36
ROCK2 O75116 1/20 0.36
KCNQ2 O43526 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
DCAF1 Q9Y4B6 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35

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
SCHEMBL11078510 0.87 MEN1 (0.48) CXCL8KMT2AMEN1NISCHLMNA
Hydrochloric Acid SCHEMBL5768748 0.83 NISCH (0.40) CXCL8KMT2AAOC3EPHX1MEN1
SCHEMBL7102445 0.81 KMT2A (0.39) KMT2AEPHX1MEN1LMNAMAPT
SCHEMBL11078108 0.81 LMNA (0.42) EPHX1ROCK2LMNAMAPT
SCHEMBL11082454 0.81 ALDH1A1 (0.39) KMT2AEPHX1MEN1MAPT
SCHEMBL11078265 0.80 GAA (0.43) KMT2AEPHX1ROCK2KCNQ2DCAF1
SCHEMBL11078508 0.80 HTT (0.39) KMT2AEPHX1
SCHEMBL22201139 0.80 CXCL8 (0.42) CXCL8KMT2AAOC3NISCHCASP1
SCHEMBL11082535 0.80 ALDH1A1 (0.41) KMT2AEPHX1ACP3ROCK2
SCHEMBL11080114 0.80 KMT2A (0.38) KMT2AEPHX1LMNA

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