SCHEMBL8349999

SCHEMBL8349999

COc1ccccc1CCN.NCCc1ccccc1Cl

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.79
AOC3 Q16853 1/20 0.51
HRH1 P35367 1/20 0.50
ADRA1A P35348 1/20 0.49
IDO1 P14902 1/20 0.49

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
SCHEMBL29350784 0.89 TAAR1 (1.00) TAAR1AOC3HRH1ADRA1AIDO1
SCHEMBL305943 0.89 TAAR1 (1.00) TAAR1AOC3HRH1ADRA1AIDO1
Hydrochloric Acid SCHEMBL11152248 0.87 TAAR1 (0.96) TAAR1AOC3HRH1ADRA1AIDO1
Iodide SCHEMBL28805523 0.87 TAAR1 (0.96) TAAR1AOC3HRH1ADRA1AIDO1
SCHEMBL8725901 0.85 TAAR1 (0.62) TAAR1ADRA1A
SCHEMBL29351771 0.83 TAAR1 (1.00) TAAR1AOC3IDO1
SCHEMBL266281 0.83 TAAR1 (1.00) TAAR1AOC3IDO1
Alcohol SCHEMBL11556398 0.82 TAAR1 (0.80) TAAR1AOC3IDO1
Iodide SCHEMBL30914653 0.81 TAAR1 (0.95) TAAR1AOC3IDO1
SCHEMBL21848195 0.81 TAAR1 (0.95) TAAR1AOC3IDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999031506-A9 PARALLEL SOLUTION PHASE SYNTHESIS OF LACTAMS LILLY CO ELI (US) 1999-09-16 WO disclosed
WO-1999031506-A1 PARALLEL SOLUTION PHASE SYNTHESIS OF LACTAMS ELI LILLY AND COMPANY (US) 1999-06-24 WO disclosed
WO-1999031507-A1 PEPTIDOMIMETIC TEMPLATE-BASED COMBINATORIAL LIBRARIES ELI LILLY AND COMPANY (US) 1999-06-24 WO disclosed