SCHEMBL8092957

SCHEMBL8092957

CC(C)(NCCCCc1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
SIGMAR1 Q99720 15/20 0.55
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL8091780 0.95 SIGMAR1 (0.53) L3MBTL1SIGMAR1MEN1KMT2APOLB
SCHEMBL6231282 0.87 ATM (0.52) L3MBTL1SIGMAR1MEN1KMT2A
SCHEMBL8096264 0.83 SIGMAR1 (0.51) L3MBTL1SIGMAR1MEN1KMT2APOLB
SCHEMBL8093024 0.83 SIGMAR1 (0.51) L3MBTL1SIGMAR1MEN1KMT2APOLB
SCHEMBL9752778 0.83 MEN1 (0.46) L3MBTL1SIGMAR1MEN1KMT2APOLB
SCHEMBL9378564 0.83 SIGMAR1 (0.51) SIGMAR1MEN1KMT2APOLB
SCHEMBL8099093 0.83 SIGMAR1 (0.52) L3MBTL1SIGMAR1MEN1KMT2APOLB
SCHEMBL13900220 0.83 L3MBTL1 (0.62) L3MBTL1SIGMAR1MEN1KMT2APOLB
SCHEMBL9372954 0.81 SIGMAR1 (0.53) L3MBTL1SIGMAR1MEN1KMT2APOLB
SCHEMBL9752836 0.81 DRD2 (0.45) SIGMAR1MEN1KMT2APOLB

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