SCHEMBL8091320

SCHEMBL8091320

CC(C)(NCCCc1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.51
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
KIF11 P52732 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
LIPG Q9Y5X9 1/20 0.38

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 0.81 SIGMAR1 (0.53) SIGMAR1MEN1KMT2APOLBL3MBTL1
SCHEMBL28254515 0.78 ABL1 (0.43) SIGMAR1MEN1KMT2APOLBKIF11
SCHEMBL9752778 0.78 MEN1 (0.46) SIGMAR1MEN1KMT2APOLBKIF11
SCHEMBL8093024 0.78 SIGMAR1 (0.51) SIGMAR1MEN1KMT2APOLBNPC1
SCHEMBL8096264 0.78 SIGMAR1 (0.51) SIGMAR1MEN1KMT2APOLBRAB9A
SCHEMBL9378564 0.78 SIGMAR1 (0.51) SIGMAR1MEN1KMT2APOLBTRPV1
SCHEMBL8099093 0.78 SIGMAR1 (0.52) SIGMAR1MEN1KMT2APOLBNPC1
SCHEMBL8084194 0.77 SIGMAR1 (0.59) SIGMAR1MEN1KMT2APOLB
SCHEMBL8084187 0.77 SIGMAR1 (0.52) SIGMAR1MEN1KMT2APOLBNPC1
SCHEMBL8092957 0.77 L3MBTL1 (0.56) SIGMAR1MEN1KMT2APOLBL3MBTL1

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 4 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