SCHEMBL5961338

SCHEMBL5961338

CN(CC(=O)NC1CCCC1)c1[c]c(Cl)nc(Cc2ccc(NC(=O)c3ccccc3)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.40
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HDAC1 Q13547 6/20 0.39
HDAC6 Q9UBN7 6/20 0.39
ACKR3 P25106 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 3/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
CTNNB1 P35222 2/20 0.36
TCF7L2 Q9NQB0 2/20 0.36
LMNA P02545 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
SCHEMBL6017031 0.93 GAA (0.42) TBXA2RPTGDRPTGDR2HDAC1HDAC6
SCHEMBL5961348 0.93 HDAC1 (0.43) TBXA2RPTGDRPTGDR2HDAC1HDAC6
SCHEMBL5961320 0.92 EPHX1 (0.41) MEN1KMT2AHPGDALDH1A1NPC1
SCHEMBL6016947 0.91 KMT2A (0.41) PTGDR2ACKR3MEN1KMT2APOLB
SCHEMBL5961345 0.91 ACKR3 (0.42) PTGDR2HDAC1HDAC6ACKR3MEN1
SCHEMBL6016975 0.90 EPHX2 (0.43) ACKR3MEN1KMT2APOLBHPGD
SCHEMBL6016971 0.88 HDAC1 (0.44) PTGDR2HDAC1HDAC6ACKR3MEN1
SCHEMBL5961316 0.88 EPHX1 (0.42) HPGD
SCHEMBL5961329 0.87 RAB9A (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5961317 0.86 EPHX2 (0.41) ACKR3MEN1KMT2APOLBHPGD

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