SCHEMBL9213367

SCHEMBL9213367

CCCCCCCCCNCCCCc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.82
L3MBTL1 Q9Y468 1/20 0.60
S1PR2 O95136 1/20 0.59
S1PR1 P21453 1/20 0.59
S1PR3 Q99500 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
SCHEMBL29107049 1.00 SIGMAR1 (0.82) SIGMAR1L3MBTL1S1PR2S1PR1S1PR3
SCHEMBL11132388 1.00 SIGMAR1 (0.82) SIGMAR1L3MBTL1S1PR2S1PR1S1PR3
SCHEMBL9819852 1.00 SIGMAR1 (0.82) SIGMAR1L3MBTL1S1PR2S1PR1S1PR3
SCHEMBL9034885 1.00 SIGMAR1 (0.82) SIGMAR1L3MBTL1S1PR2S1PR1S1PR3
SCHEMBL29266756 1.00 SIGMAR1 (0.82) SIGMAR1L3MBTL1S1PR2S1PR1S1PR3
SCHEMBL7553527 0.98 SIGMAR1 (0.79) SIGMAR1L3MBTL1S1PR2S1PR1S1PR3
SCHEMBL9819972 0.98 SIGMAR1 (0.85) SIGMAR1L3MBTL1
SCHEMBL3119923 0.96 SIGMAR1 (0.82) SIGMAR1
SCHEMBL9819833 0.96 SIGMAR1 (0.82) SIGMAR1
SCHEMBL8625670 0.96 SIGMAR1 (0.81) SIGMAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed
US-4395410-A Quaternary ammonium antiarrhythmic drugs ELI LILLY AND COMPANY (US) 1983-07-26 US disclosed
EP-0002604-B1 QUATERNARY AMMONIUM SALTS, AND THEIR FORMULATIONS AND PREPARATION ELI LILLY AND COMPANY (US) 1983-05-04 EP disclosed
US-4289787-A PROLONG ACTION POTENTIAL OF CARDIAC TISSUE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0002604-A1 Quaternary ammonium salts, and their formulations and preparation ELI LILLY AND COMPANY (US) 1979-06-27 EP disclosed