SCHEMBL5961341

SCHEMBL5961341

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
TBXA2R P21731 1/20 0.39
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTNNB1 P35222 2/20 0.37
TCF7L2 Q9NQB0 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5961330 0.91 KMT2A (0.42) PTGDR2KMT2AMEN1NPC1POLB
SCHEMBL5961338 0.86 TBXA2R (0.40) HDAC1HDAC6TBXA2RPTGDRPTGDR2
SCHEMBL2009570 0.81 PTGDR2 (0.46) HDAC1HDAC6TBXA2RPTGDRPTGDR2
SCHEMBL6017031 0.79 GAA (0.42) HDAC1HDAC6TBXA2RPTGDRPTGDR2
SCHEMBL5961348 0.78 HDAC1 (0.43) HDAC1HDAC6TBXA2RPTGDRPTGDR2
SCHEMBL6016947 0.78 KMT2A (0.41) PTGDR2KMT2AMEN1NPC1POLB
SCHEMBL2007358 0.77 PTGDR2 (0.51) HDAC1HDAC6TBXA2RPTGDRPTGDR2
SCHEMBL5961320 0.77 EPHX1 (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5961345 0.77 ACKR3 (0.42) HDAC1HDAC6PTGDR2KMT2AMEN1
SCHEMBL6016975 0.77 EPHX2 (0.43) KMT2AMEN1NPC1POLBRAB9A

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