SCHEMBL8091277

SCHEMBL8091277

CCCC(Cc1ccccc1)NCCCc1ccccc1

nearest known ligand 0.91

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.91
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69

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
SCHEMBL9373855 0.95 SIGMAR1 (1.00) SIGMAR1MEN1KMT2A
SCHEMBL19639848 0.86 SIGMAR1 (0.73) SIGMAR1MEN1KMT2A
SCHEMBL6024641 0.86 SIGMAR1 (0.73) SIGMAR1MEN1KMT2A
SCHEMBL9158626 0.86 SIGMAR1 (0.73) SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL9156272 0.85 SIGMAR1 (0.71) SIGMAR1MEN1KMT2A
SCHEMBL8096613 0.82 SIGMAR1 (0.77) SIGMAR1MEN1KMT2A
SCHEMBL9156241 0.82 SIGMAR1 (0.68) SIGMAR1MEN1KMT2A
SCHEMBL21175470 0.81 SIGMAR1 (0.70) SIGMAR1MEN1KMT2A
SCHEMBL8977010 0.80 SIGMAR1 (0.65) SIGMAR1MEN1KMT2A
SCHEMBL22431545 0.80 SIGMAR1 (0.60) SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed