SCHEMBL9670784

SCHEMBL9670784

C[N+](C)(C)CCCCCCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
MAOA P21397 1/20 0.50
DNM1 Q05193 1/20 0.48
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
Hydrochloric Acid SCHEMBL10426027 0.98 SIGMAR1 (0.52) SIGMAR1L3MBTL1MAOA
Hydrochloric Acid SCHEMBL10607355 0.98 SIGMAR1 (0.52) SIGMAR1L3MBTL1MAOA
Iodide SCHEMBL9672333 0.98 SIGMAR1 (0.52) SIGMAR1L3MBTL1MAOADNM1MAPT
Bromide SCHEMBL29198641 0.98 SIGMAR1 (0.52) SIGMAR1L3MBTL1MAOADNM1
Hydrochloric Acid SCHEMBL11703699 0.98 SIGMAR1 (0.52) SIGMAR1L3MBTL1MAOA
SCHEMBL11134605 0.98 MAOA (0.52) SIGMAR1L3MBTL1MAOA
Hydrochloric Acid SCHEMBL28728354 0.96 KDM4E (0.52) SIGMAR1L3MBTL1MAOA
Iodide SCHEMBL9670517 0.96 CHRM2 (0.51) SIGMAR1L3MBTL1MAOA
Hydrochloric Acid SCHEMBL11805981 0.92 MEN1 (0.54) SIGMAR1DNM1
SCHEMBL18053293 0.91 CHRM2 (0.55) SIGMAR1L3MBTL1MAOA

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