SCHEMBL7366514

SCHEMBL7366514

c1ccc(CCCCCN2CCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 1.00
LTA4H P09960 1/20 0.74
SLC6A3 Q01959 1/20 0.71
CCR3 P51677 1/20 0.71
GRIN2B Q13224 1/20 0.71
HRH3 Q9Y5N1 1/20 0.68
HRH1 P35367 1/20 0.64

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
SCHEMBL8091557 0.98 SIGMAR1 (1.00) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL492561 0.98 SIGMAR1 (1.00) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL8935099 0.98 SIGMAR1 (0.96) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
Hydrochloric Acid SCHEMBL11555128 0.96 SIGMAR1 (0.96) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL10601122 0.96 SIGMAR1 (0.96) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL28881215 0.96 SIGMAR1 (0.93) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL113897 0.96 SIGMAR1 (0.96) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL5302082 0.92 LTA4H (0.86) SIGMAR1LTA4HSLC6A3CCR3GRIN2B
SCHEMBL8092982 0.92 SIGMAR1 (0.85) SIGMAR1CCR3
SCHEMBL83687 0.90 SIGMAR1 (0.86) SIGMAR1LTA4HSLC6A3CCR3GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714292-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE INC (US) 1996-10-09 EP claimed
EP-0714292-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-06-05 EP claimed
WO-1995000131-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF CAMBRIDGE NEUROSCIENCE, INCORPORATED (US) 1995-01-05 WO claimed