SCHEMBL5961345

SCHEMBL5961345

CN(CC(=O)NC1CCCCC1)c1[c]c(Cl)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
DRD4 P21917 5/20 0.39
SSTR3 P32745 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A12 P48065 1/20 0.37
SLC6A13 Q9NSD5 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
SCHEMBL6016947 0.99 KMT2A (0.41) ACKR3KMT2AMEN1NR1H4RAB9A
SCHEMBL5961338 0.91 TBXA2R (0.40) ACKR3KMT2AMEN1RAB9ANPC1
SCHEMBL6017031 0.89 GAA (0.42) ACKR3RAB9ANPC1PTGDR2POLB
SCHEMBL5961348 0.88 HDAC1 (0.43) ACKR3KMT2AMEN1RAB9ANPC1
SCHEMBL6016891 0.88 TRPV1 (0.45) ACKR3KMT2AMEN1NR1H4RAB9A
SCHEMBL6016975 0.88 EPHX2 (0.43) ACKR3KMT2AMEN1RAB9ANPC1
SCHEMBL6016923 0.87 KMT2A (0.44) KMT2AMEN1NR1H4RAB9ANPC1
SCHEMBL5961330 0.86 KMT2A (0.42) ACKR3KMT2AMEN1NR1H4RAB9A
SCHEMBL5961329 0.86 RAB9A (0.46) KMT2AMEN1RAB9ANPC1CASP3
SCHEMBL5961320 0.86 EPHX1 (0.41) KMT2AMEN1RAB9ANPC1DRD4

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