SCHEMBL5961330

SCHEMBL5961330

CN(CC(=O)NC1CCCC1)c1[c]cnc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ACKR3 P25106 1/20 0.42
NR1H4 Q96RI1 2/20 0.41
RAB9A P51151 5/20 0.40
CYSLTR1 Q9Y271 2/20 0.39
NPC1 O15118 4/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DEGS1 O15121 1/20 0.38
DRD4 P21917 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
DGAT1 O75907 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
SCHEMBL5961341 0.91 HDAC1 (0.40) KMT2AMEN1RAB9ANPC1POLB
SCHEMBL6016947 0.87 KMT2A (0.41) KMT2AMEN1ACKR3NR1H4RAB9A
SCHEMBL5961345 0.86 ACKR3 (0.42) KMT2AMEN1ACKR3NR1H4RAB9A
SCHEMBL5961324 0.84 KMT2A (0.47) KMT2AMEN1NR1H4RAB9ACYSLTR1
SCHEMBL6016948 0.83 NR1H4 (0.52) KMT2AMEN1NR1H4RAB9ACYSLTR1
SCHEMBL2009413 0.82 NR1H4 (0.47) KMT2AMEN1ACKR3NR1H4RAB9A
SCHEMBL1651183 0.78 PTGDR2 (0.47) KMT2AMEN1ACKR3NR1H4RAB9A
SCHEMBL2007861 0.78 PTGDR2 (0.47) KMT2AMEN1ACKR3NR1H4RAB9A
SCHEMBL5961338 0.78 TBXA2R (0.40) KMT2AMEN1ACKR3RAB9ANPC1
SCHEMBL6017031 0.76 GAA (0.42) ACKR3RAB9ANPC1POLBSMN1; SMN2

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