SCHEMBL182564

SCHEMBL182564

O=C(O)Cc1ccc(-c2ccc(-c3coc(Nc4cccc(Cl)c4)n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.52
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
PDE4B Q07343 5/20 0.45
PDE4D Q08499 4/20 0.45
CAMK2D Q13557 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
SYK P43405 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
FFAR1 O14842 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RET P07949 1/20 0.40

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
SCHEMBL180361 0.78 DGAT1 (0.81) DGAT1MAPTGAASYKADRB1
SCHEMBL1722009 0.76 DGAT1 (0.60) DGAT1CAMK2DMEN1KMT2APKM
SCHEMBL4201881 0.71 ABCC4 (0.67) GAAPDE4BPDE4DADRB1ADRB3
SCHEMBL21311893 0.70 HSD17B1 (0.57) MAPTMEN1KMT2APKMSYK
SCHEMBL181030 0.68 DGAT1 (1.00) DGAT1SYKFFAR1KDR
SCHEMBL22649136 0.68 PDE4B (0.57) PDE4BPDE4DSYKCYP3A4CYP2C19
SCHEMBL21311909 0.67 ENPP3 (0.48) MAPTGAAMEN1KMT2APKM
SCHEMBL181014 0.65 CYP1A1 (0.62) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4217521 0.65 SELP (0.49) MAPTGAAMEN1KMT2AADRB3
SCHEMBL4211639 0.65 ABCC4 (0.69) MAPTGAAPDE4BPDE4DFFAR1

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-2402320-A1 Anorectic agents Novartis AG (CH) 2012-01-04 EP disclosed