SCHEMBL8096613

SCHEMBL8096613

CCC(Cc1ccccc1)NCCCCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.77
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL9150896 0.88 SIGMAR1 (0.62) SIGMAR1MEN1KMT2A
SCHEMBL9373855 0.87 SIGMAR1 (1.00) SIGMAR1MEN1KMT2AL3MBTL1
SCHEMBL22431534 0.86 SIGMAR1 (0.70) SIGMAR1
SCHEMBL8976808 0.82 SIGMAR1 (0.65) SIGMAR1MEN1KMT2A
SCHEMBL8091277 0.82 SIGMAR1 (0.91) SIGMAR1MEN1KMT2A
SCHEMBL8099627 0.79 SIGMAR1 (1.00) SIGMAR1
SCHEMBL22558398 0.78 SLC6A4 (0.62) SIGMAR1
SCHEMBL19334491 0.78 SIGMAR1 (0.58) SIGMAR1L3MBTL1
SCHEMBL19505653 0.78 SIGMAR1 (1.00) SIGMAR1
SCHEMBL19505477 0.78 SIGMAR1 (1.00) SIGMAR1

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 3 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 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