SCHEMBL16597484

SCHEMBL16597484

Cc1cc([N+](C)(C)C)ncc1-c1ccc2c3cnccc3n(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA1 P14867 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ CYP11B1 P15538 4/20 0.33
▸ CYP11B2 P19099 4/20 0.33
▸ GPR119 Q8TDV5 4/20 0.32
▸ BTK Q06187 1/20 0.32
▸ NR1H2 P55055 2/20 0.31
▸ RET P07949 1/20 0.31
▸ ABL1 P00519 2/20 0.30
▸ METAP2 P50579 1/20 0.30
▸ MAP4K1 Q92918 1/20 0.30

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
SCHEMBL16597487 0.96 GABRG2 (0.34) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16610290 0.87 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16597485 0.85 GABRG2 (0.33) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16597546 0.80 NR1H2 (0.35) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL18012185 0.79 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16610350 0.77 GPR119 (0.46) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16597821 0.74 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL23010089 0.74 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL16268180 0.74 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL20129203 0.74 NR1H2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA2

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-3049414-A1 COMPOUNDS AND THEIR USE FOR PREPARATION OF TAU IMAGING AGENTS AND TAU IMAGING FORMULATIONS Eli Lilly and Company (US) 2016-08-03 — — EP claimed
WO-2015047902-A1 COMPOUNDS AND THEIR USE FOR PREPARATION OF TAU IMAGING AGENTS AND TAU IMAGING FORMULATIONS ELI LILLY AND COMPANY (US) 2015-04-02 — — WO claimed
Send feedback