SCHEMBL5961316

SCHEMBL5961316

CN(CC(=O)NC1CCCC1)c1[c]c(Cl)nc(Cc2ccc(NC(=O)NCc3ccccc3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
HPGD P15428 1/20 0.42
NAMPT P43490 16/20 0.42
JAK3 P52333 1/20 0.39
LSS P48449 1/20 0.38

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
SCHEMBL5961320 0.93 EPHX1 (0.41) EPHX1HPGD
SCHEMBL5961338 0.88 TBXA2R (0.40) HPGD
SCHEMBL6016971 0.84 HDAC1 (0.44)
SCHEMBL5961317 0.84 EPHX2 (0.41) EPHX1HPGDNAMPT
SCHEMBL6016968 0.83 ACKR3 (0.40) HPGDNAMPT
SCHEMBL6017031 0.83 GAA (0.42) EPHX1
SCHEMBL6016947 0.83 KMT2A (0.41)
SCHEMBL5961348 0.82 HDAC1 (0.43) EPHX1HPGD
SCHEMBL2005214 0.82 PTGDR2 (0.43) EPHX1HPGDNAMPTJAK3
SCHEMBL5961345 0.82 ACKR3 (0.42)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006524645-A 2006-11-02 JP claimed
EP-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP claimed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO claimed
EP-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP disclosed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO disclosed