SCHEMBL8084740

SCHEMBL8084740

CN(CCCCCc1ccccc1)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 1.00
▸ MAOB P27338 2/20 0.59
▸ MAOA P21397 1/20 0.59
▸ CARM1 Q86X55 1/20 0.58
▸ PRMT6 Q96LA8 1/20 0.58
▸ PRMT8 Q9NR22 1/20 0.58
▸ ACHE P22303 4/20 0.56

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
SCHEMBL2949711 0.92 SIGMAR1 (0.85) SIGMAR1CARM1PRMT6PRMT8
SCHEMBL29733117 0.92 SIGMAR1 (0.85) SIGMAR1MAOBMAOACARM1PRMT6
SCHEMBL7225346 0.92 SIGMAR1 (0.85) SIGMAR1MAOBMAOACARM1PRMT6
SCHEMBL8096630 0.88 SIGMAR1 (1.00) SIGMAR1
SCHEMBL16260101 0.86 SIGMAR1 (0.76) SIGMAR1MAOBMAOACARM1PRMT6
SCHEMBL7371550 0.86 SIGMAR1 (1.00) SIGMAR1
SCHEMBL11133953 0.86 SIGMAR1 (0.96) SIGMAR1
SCHEMBL1088446 0.86 SIGMAR1 (0.74) SIGMAR1MAOBMAOACARM1PRMT6
SCHEMBL25242768 0.85 SIGMAR1 (0.79) SIGMAR1
SCHEMBL11040881 0.85 SIGMAR1 (0.73) SIGMAR1MAOBMAOACARM1PRMT6

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
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 — — 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
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