SCHEMBL7260002

SCHEMBL7260002

CN(C)CCCc1ccccc1Cl

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.78
AOC3 Q16853 1/20 0.61
SLC6A4 P31645 6/20 0.55
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
PYCR1 P32322 1/20 0.44
PNMT P11086 1/20 0.43

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
SCHEMBL3052939 0.88 TAAR1 (1.00) TAAR1AOC3SLC6A4SLC6A2SLC6A3
SCHEMBL11250748 0.80 HRH1 (0.60) TAAR1HRH3
Maleic Acid SCHEMBL28690962 0.79 TAAR1 (0.50) TAAR1AOC3SLC6A4SLC6A2
SCHEMBL11264682 0.79 TAAR1 (0.58) TAAR1HRH3
SCHEMBL9670821 0.79 SIGMAR1 (0.63) TAAR1SLC6A4SIGMAR1
SCHEMBL1822278 0.78 TAAR1 (0.62) TAAR1AOC3SLC6A4SLC6A2SLC6A3
SCHEMBL18940166 0.78 TAAR1 (0.58) TAAR1AOC3SLC6A4SLC6A2SLC6A3
SCHEMBL28237237 0.78 TAAR1 (0.49) TAAR1AOC3SLC6A4SIGMAR1
Hydrochloric Acid SCHEMBL11258745 0.78 TAAR1 (0.57) TAAR1HRH3
SCHEMBL11269198 0.78 TAAR1 (0.57) TAAR1HRH3

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
WO-2003104216-A1 UROTENSIN II RECEPTOR MODULATORS ACADIA PHARMACEUTICALS INC. (US) 2003-12-18 WO disclosed