SCHEMBL6877142

SCHEMBL6877142

CCCCOC(=O)c1ccc(NC(=O)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.42
RECQL P46063 1/20 0.42
EPHX2 P34913 4/20 0.42
EPHX1 P07099 1/20 0.42
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
GLA P06280 1/20 0.41
MAPK14 Q16539 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL6877139 1.00 RAB9A (0.47) RAB9AHSD17B10MAPTALDH1A1L3MBTL1
SCHEMBL6876406 0.92 MAPT (0.49) RAB9AMAPTALDH1A1HPGDEPHX2
SCHEMBL6876402 0.92 MAPT (0.49) RAB9AMAPTALDH1A1HPGDEPHX2
SCHEMBL6876167 0.90 NPC1 (0.47) RAB9AMAPTEPHX2EPHX1NPC1
SCHEMBL6876164 0.90 NPC1 (0.47) RAB9AMAPTEPHX2EPHX1NPC1
SCHEMBL6876610 0.89 EPHX2 (0.46) RAB9AMAPTEPHX2EPHX1NPC1
SCHEMBL6876601 0.89 EPHX2 (0.46) RAB9AMAPTEPHX2EPHX1NPC1
SCHEMBL6868638 0.88 EPHX2 (0.54) RAB9AALDH1A1HPGDEPHX2EPHX1
SCHEMBL6879538 0.87 EPHX1 (0.56) RAB9AMAPTHPGDEPHX2EPHX1
SCHEMBL6879546 0.87 EPHX1 (0.56) RAB9AMAPTHPGDEPHX2EPHX1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed