SCHEMBL7428360

SCHEMBL7428360

Nc1ccc2c(c1)NC(C(=O)OCc1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
BACE1 P56817 2/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
IDO1 P14902 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
HTR2C P28335 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL14018477 0.85 GAA (0.60) TSHRBACE1GAAMAPTFABP7
SCHEMBL13889275 0.85 GAA (0.60) TSHRBACE1GAAMAPTFABP7
SCHEMBL3899815 0.85 GAA (0.60) TSHRBACE1GAAMAPTFABP7
Hydrochloric Acid SCHEMBL8041147 0.84 GAA (0.59) TSHRBACE1GAAMAPTFABP7
SCHEMBL11028996 0.83 TSHR (0.44) TSHRBACE1FABP7FABP5HPGD
SCHEMBL16140165 0.82 TNF (0.41) GAAMAPTHPGDALDH1A1MAPK1
SCHEMBL7439144 0.81 TDP1 (0.50) TSHRBACE1
SCHEMBL28789826 0.79 TSHR (0.44) TSHRBACE1GAAMAPTFABP7
SCHEMBL6866934 0.77 TSHR (0.55) TSHRBACE1GAAFABP7FABP5
SCHEMBL4695211 0.77 TSHR (0.55) TSHRBACE1GAAFABP7FABP5

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-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed