SCHEMBL8093024

SCHEMBL8093024

CC(C)(NCCCc1ccccc1)c1ccc(I)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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 0.89 SIGMAR1 (0.53) SIGMAR1MEN1KMT2APOLBL3MBTL1
SCHEMBL9752778 0.84 MEN1 (0.46) SIGMAR1MEN1KMT2APOLBL3MBTL1
SCHEMBL9378564 0.84 SIGMAR1 (0.51) SIGMAR1MEN1KMT2APOLBNPC1
SCHEMBL8096264 0.84 SIGMAR1 (0.51) SIGMAR1MEN1KMT2APOLBL3MBTL1
SCHEMBL8099093 0.84 SIGMAR1 (0.52) SIGMAR1MEN1KMT2APOLBL3MBTL1
SCHEMBL8092957 0.83 L3MBTL1 (0.56) SIGMAR1MEN1KMT2APOLBL3MBTL1
SCHEMBL9752836 0.82 DRD2 (0.45) SIGMAR1MEN1KMT2APOLB
SCHEMBL9372954 0.82 SIGMAR1 (0.53) SIGMAR1MEN1KMT2APOLBL3MBTL1
SCHEMBL8092622 0.80 SIGMAR1 (0.55) SIGMAR1MEN1KMT2APOLBNPC1
SCHEMBL8100063 0.80 BCHE (0.58) 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 6 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
EP-0507863-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF 1993-07-07 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed
EP-0507863-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1992-10-14 EP claimed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO claimed