SCHEMBL7258362

SCHEMBL7258362

CN(C)CCc1ccc(N(C)N)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.61
TAAR1 Q96RJ0 6/20 0.57
AOC3 Q16853 5/20 0.48
CHRNA7 P36544 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL18762839 0.83 HRH3 (0.84) HRH3TAAR1AOC3CHRNA7
SCHEMBL10262063 0.82 HRH3 (0.67) HRH3TAAR1
SCHEMBL26355432 0.78 HRH3 (0.61) HRH3TAAR1AOC3CHRNA7
SCHEMBL26355428 0.78 HRH3 (0.61) HRH3TAAR1AOC3CHRNA7
SCHEMBL7258143 0.77 HRH3 (0.58) HRH3TAAR1AOC3CA12CA1
SCHEMBL189454 0.77 HRH3 (0.67) HRH3TAAR1AOC3
SCHEMBL7263645 0.76 TAAR1 (0.58) HRH3TAAR1AOC3CHRNA7
Hydrochloric Acid SCHEMBL6675945 0.76 HRH3 (0.64) HRH3TAAR1AOC3
SCHEMBL5708331 0.76 HRH3 (0.64) HRH3TAAR1AOC3
SCHEMBL3046909 0.75 HRH3 (0.70) HRH3TAAR1CHRNA7

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