SCHEMBL6669283

SCHEMBL6669283

CNc1nc(CCN2CCc3cc(NC(=O)c4cc(C)ccc4-c4ccccc4)ccc32)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 1/20 0.39
CREBBP Q92793 1/20 0.39
HCRTR2 O43614 3/20 0.38
AVPR2 P30518 3/20 0.38
TRPV4 Q9HBA0 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SLC12A2 P55011 1/20 0.37
WNK1 Q9H4A3 1/20 0.37
GAA P10253 3/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 2/20 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
SCHEMBL6809605 0.92 MAPT (0.47) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6669291 0.86 MAPT (0.48) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL7080609 0.80 CYP3A4 (0.42) MAPTALDH1A1RAB9ANPC1POLB
SCHEMBL6801575 0.78 MAPT (0.53) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6670249 0.76 MAPT (0.42) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6804886 0.75 SMO (0.50) MAPTRAB9ANPC1SMN1; SMN2CREBBP
SCHEMBL6668770 0.74 SMN1; SMN2 (0.65) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6666524 0.73 SMO (0.51)
SCHEMBL6667068 0.73 MAPT (0.43) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL6666569 0.72 SMO (0.44) TRPV4

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-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed