SCHEMBL8486359

SCHEMBL8486359

N#Cc1ccc(C[CH]C(=O)N2CCN(c3ccccc3OCC(N)=O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 2/20 0.45
TACR3 P29371 2/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 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
SCHEMBL7029546 0.80 OPRM1 (0.44) TSHRHTR1ADRD2USP2HSD17B10
SCHEMBL8485006 0.76 FAAH (0.43) TSHRHTR1AHSD17B10MEN1KMT2A
SCHEMBL8488103 0.76 ALDH1A1 (0.41) TSHRHTR1AHSD17B10MEN1KMT2A
SCHEMBL4423181 0.74 ALDH1A1 (0.49) TSHRMEN1KMT2AL3MBTL1
SCHEMBL8486363 0.73 AKT1 (0.58) TSHRHTR1ADRD2USP2NPSR1
SCHEMBL7021128 0.72 CNR1 (0.43) TSHRMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL7371853 0.66 LTA4H (0.54) L3MBTL1
SCHEMBL7026731 0.65 POLB (0.44)
SCHEMBL7947461 0.65 HTR1A (0.50) HTR1ADRD2HSD17B10TP53SMN1; SMN2
SCHEMBL6161203 0.64 MAPK1 (0.40) MEN1KMT2ASMN1; SMN2GAALMNA

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
US-5985899-A ANTICOAGULANTS LG CHEMICAL LTD. (KR) 1999-11-16 US disclosed
WO-1997049673-A1 SELECTIVE THROMBIN INHIBITORS LG CHEMICAL LTD. (KR) 1997-12-31 WO disclosed