SCHEMBL5961407

SCHEMBL5961407

CN(C)c1[c]c(N2CCOCC2)nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
KMT2A Q03164 5/20 0.56
NPC1 O15118 5/20 0.56
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 1/20 0.47
MCL1 Q07820 1/20 0.47
HTT P42858 2/20 0.46
NR1H4 Q96RI1 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41

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
SCHEMBL6886123 0.87 RAB9A (0.61) RAB9AKMT2ANPC1MAPTSMN1; SMN2
SCHEMBL6016865 0.86 NR1H4 (0.56) RAB9AKMT2ANPC1MAPTSMN1; SMN2
SCHEMBL6016795 0.82 NR1H4 (0.52) RAB9AKMT2ANPC1MEN1NR1H4
SCHEMBL5961347 0.81 NR1H4 (0.51) RAB9AKMT2ANPC1MEN1NR1H4
SCHEMBL6016986 0.81 NR1H4 (0.51) RAB9AKMT2ANPC1MEN1NR1H4
SCHEMBL6017005 0.81 RAB9A (0.57) RAB9AKMT2ANPC1MAPTSMN1; SMN2
SCHEMBL1010989 0.79 PTGDR2 (0.55) RAB9AKMT2ANPC1MAPTSMN1; SMN2
SCHEMBL6016969 0.79 RAB9A (0.57) RAB9AKMT2ANPC1MAPTSMN1; SMN2
SCHEMBL5961309 0.79 NPC1 (0.50) RAB9AKMT2ANPC1MEN1NR1H4
SCHEMBL12569015 0.78 RAB9A (0.51) RAB9AKMT2ANPC1MAPTSMN1; 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 7 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
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
EP-1471057-A1 Pyrimidinylacetic acid derivatives useful for the treatment of diseases mediated by CRTH2 Bayer HealthCare AG (DE) 2004-10-27 EP disclosed