SCHEMBL5961317

SCHEMBL5961317

CN(CC(=O)NC1CCCC1)c1[c]c(Cl)nc(Cc2ccc(NC(=O)CC3CCCCC3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
KMT2A Q03164 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 1/20 0.38
NAMPT P43490 1/20 0.37
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
AURKB Q96GD4 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 2/20 0.37
EPHX1 P07099 1/20 0.37
ACKR3 P25106 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 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
SCHEMBL6016968 0.91 ACKR3 (0.40) EPHX2KMT2AGAANAMPTUSP2
SCHEMBL6016878 0.89 GAA (0.39) EPHX2KMT2ANPC1RAB9AGAA
SCHEMBL5961320 0.87 EPHX1 (0.41) EPHX2KMT2ANPC1RAB9AGAA
SCHEMBL6017031 0.86 GAA (0.42) NPC1RAB9AGAAPOLBEPHX1
SCHEMBL5961338 0.86 TBXA2R (0.40) KMT2ANPC1RAB9AHPGDMEN1
SCHEMBL5961348 0.85 HDAC1 (0.43) KMT2ANPC1RAB9AGAAHPGD
SCHEMBL6016869 0.85 GAA (0.40) EPHX2KMT2ANPC1RAB9AGAA
SCHEMBL5961316 0.84 EPHX1 (0.42) NAMPTHPGDEPHX1
SCHEMBL5961345 0.83 ACKR3 (0.42) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL6016975 0.83 EPHX2 (0.43) EPHX2KMT2ANPC1RAB9AGAA

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 6 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
EP-1471057-A1 Pyrimidinylacetic acid derivatives useful for the treatment of diseases mediated by CRTH2 Bayer HealthCare AG (DE) 2004-10-27 EP disclosed