SCHEMBL5961320

SCHEMBL5961320

CN(CC(=O)NC1CCCC1)c1[c]c(Cl)nc(Cc2ccc(NC(=O)Nc3ccccc3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.41
RAB9A P51151 4/20 0.41
EPHX2 P34913 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
ICMT O60725 1/20 0.37
ALB P02768 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL5961316 0.93 EPHX1 (0.42) EPHX1HPGD
SCHEMBL5961338 0.92 TBXA2R (0.40) RAB9ASMN1; SMN2NPC1LMNAHPGD
SCHEMBL5961317 0.87 EPHX2 (0.41) EPHX1RAB9AEPHX2NPC1HPGD
SCHEMBL6016968 0.87 ACKR3 (0.40) EPHX2SMN1; SMN2LMNAHPGDKMT2A
SCHEMBL6017031 0.86 GAA (0.42) EPHX1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6016971 0.86 HDAC1 (0.44) RAB9ASMN1; SMN2NPC1LMNAALDH1A1
SCHEMBL6016947 0.86 KMT2A (0.41) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL5961348 0.86 HDAC1 (0.43) EPHX1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL5961345 0.86 ACKR3 (0.42) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL6016869 0.86 GAA (0.40) EPHX1RAB9AEPHX2SMN1; SMN2NPC1

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