SCHEMBL7258201

SCHEMBL7258201

CN(C)CCc1ccccc1N(C)N

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.55
AOC3 Q16853 4/20 0.47
HTR2A P28223 4/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
CHRNA7 P36544 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HTR6 P50406 2/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL7258749 0.79 SLC6A4 (0.46) AOC3HTR2A
SCHEMBL3462477 0.75 TAAR1 (0.59) TAAR1AOC3HTR2AHTR1AHTR2C
SCHEMBL3064919 0.72 TAAR1 (0.61) TAAR1AOC3HTR2AHTR1AHTR2C
SCHEMBL3060544 0.72 TAAR1 (0.61) TAAR1AOC3HTR2AHTR1AHTR2C
SCHEMBL3064865 0.72 TAAR1 (0.61) TAAR1AOC3HTR2AHTR1AHTR2C
SCHEMBL14196710 0.72 SLC6A4 (0.40) AOC3HTR2A
SCHEMBL2155236 0.72 TAAR1 (0.50) TAAR1AOC3HTR2AHTR1AHTR2C
SCHEMBL3056915 0.71 TAAR1 (0.59) TAAR1AOC3HTR2AHTR1AHTR2C
SCHEMBL3052939 0.71 TAAR1 (1.00) TAAR1AOC3HTR2AHTR1AHTR2C
SCHEMBL3052936 0.71 TAAR1 (1.00) TAAR1HTR2AHTR1AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614898-B1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-05-07 EP disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 EP disclosed