SCHEMBL8092963

SCHEMBL8092963

CC(CNCCCCc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.59
KCNH2 Q12809 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51

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
SCHEMBL8091786 0.95 SIGMAR1 (0.60) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL6226287 0.88 MEN1 (0.65) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL20689710 0.88 GRIN1 (0.66) SIGMAR1MEN1KMT2AGRIN1GRIN2A
SCHEMBL20689708 0.88 GRIN1 (0.66) SIGMAR1MEN1KMT2AGRIN1GRIN2A
SCHEMBL20689725 0.88 GRIN1 (0.66) SIGMAR1MEN1KMT2AGRIN1GRIN2A
SCHEMBL9378576 0.84 SIGMAR1 (0.56) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL8096269 0.84 SIGMAR1 (0.56) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL8099094 0.84 SIGMAR1 (0.57) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL9752913 0.84 SIGMAR1 (0.56) SIGMAR1KCNH2MEN1KMT2A
SCHEMBL9752779 0.84 SIGMAR1 (0.51) SIGMAR1KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 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
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO disclosed