SCHEMBL7157261

SCHEMBL7157261

O=C(Cc1ccccc1)Nc1ccc(N2C(=O)C3CCC2CC3)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
MCL1 Q07820 1/20 0.57
CRACR2A Q9BSW2 1/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NR4A1 P22736 1/20 0.56
HRH3 Q9Y5N1 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
EPHX2 P34913 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PRMT1 Q99873 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD11B1 P28845 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL7154949 0.82 POLB (0.50) RAB9ANPC1MCL1CRACR2AMAPT
SCHEMBL7148393 0.80 HRH3 (0.46) RAB9ANPC1MCL1CRACR2AMAPT
SCHEMBL7155311 0.80 MEN1 (0.59) RAB9ANPC1MCL1CRACR2AMAPT
SCHEMBL13856558 0.72 MAPT (1.00) RAB9ANPC1MCL1MAPTALDH1A1
SCHEMBL1671387 0.72 CRACR2A (1.00) RAB9ANPC1MCL1CRACR2AMAPT
SCHEMBL1516167 0.72 EPHX2 (1.00) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL2634482 0.71 HRH3 (1.00) RAB9ANPC1MCL1MAPTHRH3
SCHEMBL2634484 0.71 HRH3 (1.00) RAB9ANPC1MCL1MAPTHRH3
SCHEMBL2634480 0.71 HRH3 (1.00) RAB9ANPC1MCL1MAPTHRH3
SCHEMBL2634483 0.71 HRH3 (1.00) RAB9ANPC1MCL1MAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO disclosed