SCHEMBL30698368

SCHEMBL30698368

Cc1cccc(CN(O)Cc2cccc(C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
IDO1 P14902 2/20 0.48
ACHE P22303 3/20 0.46
HSP90AA1 P07900 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
CTBP2 P56545 1/20 0.43
POLB P06746 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL10778632 1.00 TAAR1 (0.50) TAAR1IDO1ACHEHSP90AA1TAS2R14
SCHEMBL7048153 0.94 TAS2R14 (0.51) TAAR1IDO1TAS2R14CYP2D6CYP2C9
SCHEMBL12857 0.80 ALDH1A1 (0.56) TAAR1IDO1ACHEHSP90AA1CYP2D6
SCHEMBL8575930 0.78 GRIN2D (0.46)
SCHEMBL295348 0.78 TAAR1 (0.50) TAAR1IDO1ACHEHSP90AA1TAS2R14
SCHEMBL24758551 0.77 TAAR1 (0.48) TAAR1IDO1ACHEHSP90AA1TAS2R14
SCHEMBL19422033 0.77 TAAR1 (0.48) TAAR1IDO1ACHEHSP90AA1TAS2R14
SCHEMBL12772084 0.77 TAAR1 (0.48) TAAR1IDO1ACHECYP2D6CYP2C9
SCHEMBL24927879 0.77 AOC3 (0.59) TAAR1IDO1ACHEHSP90AA1CYP2D6
SCHEMBL12772089 0.77 TAS2R14 (0.50) TAAR1IDO1TAS2R14CYP2D6CYP2C9

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
CN-117343394-A Polypropylene composite additive and application thereof 山东南山科学技术研究院有限公司 2024-01-05 CN disclosed