SCHEMBL9019137

SCHEMBL9019137

c1ccc(CCNCCN2CCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 1.00
DPP7 Q9UHL4 1/20 0.72
SLC6A3 Q01959 1/20 0.67
LTA4H P09960 2/20 0.56
DRD3 P35462 1/20 0.53

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 SCHEMBL5756391 0.97 SIGMAR1 (0.93) SIGMAR1DPP7SLC6A3LTA4HDRD3
SCHEMBL16511553 0.91 SIGMAR1 (0.83) SIGMAR1DPP7SLC6A3LTA4H
SCHEMBL16511184 0.89 SIGMAR1 (0.80) SIGMAR1DPP7SLC6A3
SCHEMBL13661556 0.88 SIGMAR1 (0.79) SIGMAR1DPP7SLC6A3LTA4H
SCHEMBL9866577 0.88 SIGMAR1 (0.79) SIGMAR1DPP7SLC6A3LTA4H
SCHEMBL6203931 0.84 SIGMAR1 (0.72) SIGMAR1DPP7SLC6A3LTA4HDRD3
SCHEMBL5756091 0.84 DPP7 (1.00) SIGMAR1DPP7SLC6A3DRD3
SCHEMBL22300012 0.83 SIGMAR1 (0.69) SIGMAR1DPP7SLC6A3LTA4HDRD3
Hydrochloric Acid SCHEMBL5754930 0.82 DPP7 (0.96) SIGMAR1DPP7SLC6A3DRD3
SCHEMBL8883456 0.82 DPP7 (0.96) SIGMAR1DPP7SLC6A3DRD3

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
EP-3650429-A1 CATALYST FOR OLEFIN MULTIMERIZATION AND METHOD FOR PRODUCING OLEFIN MULTIMER IN PRESENCE OF SAID CATALYST Mitsui Chemicals, Inc. (JP) 2020-05-13 EP disclosed