SCHEMBL6016947

SCHEMBL6016947

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ACKR3 P25106 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
DRD4 P21917 6/20 0.40
SSTR3 P32745 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
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
SLC6A12 P48065 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
GPR27 Q9NS67 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
SCHEMBL5961345 0.99 ACKR3 (0.42) KMT2AMEN1ACKR3NR1H4RAB9A
SCHEMBL5961338 0.91 TBXA2R (0.40) KMT2AMEN1ACKR3RAB9ANPC1
SCHEMBL6017031 0.90 GAA (0.42) ACKR3RAB9ANPC1PTGDR2POLB
SCHEMBL5961348 0.89 HDAC1 (0.43) KMT2AMEN1ACKR3RAB9ANPC1
SCHEMBL6016975 0.88 EPHX2 (0.43) KMT2AMEN1ACKR3RAB9ANPC1
SCHEMBL6016923 0.87 KMT2A (0.44) KMT2AMEN1NR1H4RAB9ANPC1
SCHEMBL6016891 0.87 TRPV1 (0.45) KMT2AMEN1ACKR3NR1H4RAB9A
SCHEMBL5961330 0.87 KMT2A (0.42) KMT2AMEN1ACKR3NR1H4RAB9A
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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP disclosed
EP-1471057-B1 Pyrimidinylacetic acid derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2006-01-18 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