SCHEMBL7336121

SCHEMBL7336121

CC(C)(C)OC(=O)OCc1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
SLC7A5 Q01650 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
TACR1 P25103 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CYP19A1 P11511 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
SYK P43405 1/20 0.37
ACHE P22303 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 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
SCHEMBL27354856 0.83 GRM2 (0.39) THRATHRBSLC7A5MAOBMAOA
SCHEMBL3911621 0.83 ALDH1A1 (0.45) THRATHRBMAOBMAOATACR1
SCHEMBL13039762 0.81 THRA (0.43) THRATHRBMAOBMAOATACR1
SCHEMBL6645967 0.80 ALDH1A1 (0.58) ALDH1A1SYK
SCHEMBL6597806 0.79 ALDH1A1 (0.61) THRATHRBMAOBMAOAALDH1A1
SCHEMBL275395 0.79 SYK (0.46) TACR1ALDH1A1SYK
SCHEMBL9943376 0.78 TP53 (0.37) SLC7A5ALDH1A1SYK
SCHEMBL2540267 0.78 ALDH1A1 (0.44) ALDH1A1SYK
SCHEMBL6180823 0.78 SLC7A5 (0.45) THRATHRBSLC7A5MAOBMAOA
SCHEMBL21533310 0.78 SLC7A5 (0.65) SLC7A5

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
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed