SCHEMBL9670745

SCHEMBL9670745

CN(C)CCCCCCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 1.00
TAAR1 Q96RJ0 1/20 0.68
KCNH2 Q12809 2/20 0.59
AOC3 Q16853 1/20 0.59

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
SCHEMBL3132594 1.00 SIGMAR1 (1.00) SIGMAR1TAAR1KCNH2AOC3
SCHEMBL5721858 1.00 SIGMAR1 (1.00) SIGMAR1TAAR1KCNH2AOC3
SCHEMBL9151137 1.00 SIGMAR1 (1.00) SIGMAR1TAAR1KCNH2AOC3
SCHEMBL2117266 1.00 SIGMAR1 (1.00) SIGMAR1TAAR1KCNH2AOC3
SCHEMBL8498144 1.00 SIGMAR1 (1.00) SIGMAR1TAAR1KCNH2AOC3
SCHEMBL483816 1.00 SIGMAR1 (1.00) SIGMAR1TAAR1KCNH2AOC3
SCHEMBL10726207 1.00 SIGMAR1 (1.00) SIGMAR1TAAR1KCNH2AOC3
SCHEMBL8079373 1.00 SIGMAR1 (1.00) SIGMAR1TAAR1KCNH2AOC3
SCHEMBL22442307 1.00 SIGMAR1 (1.00) SIGMAR1TAAR1KCNH2AOC3
SCHEMBL8084103 1.00 SIGMAR1 (1.00) SIGMAR1TAAR1KCNH2AOC3

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
US-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed