SCHEMBL6548940

SCHEMBL6548940

OC(CON=C(Cl)C=Cc1ccccc1)CN1CCc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 15/20 0.54
WDR77 Q9BQA1 15/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL6548685 0.86 PRMT5 (0.50) PRMT5WDR77MAPT
SCHEMBL6548688 0.86 PRMT5 (0.50) PRMT5WDR77MAPT
SCHEMBL6548872 0.85 ABCB1 (0.55) SMN1; SMN2
SCHEMBL6549930 0.84 ABCB1 (0.57)
SCHEMBL6549925 0.84 ABCB1 (0.57)
SCHEMBL6549086 0.82 POLB (0.51) SMN1; SMN2
SCHEMBL6549091 0.82 POLB (0.51) SMN1; SMN2
Hydrochloric Acid SCHEMBL6549702 0.77 PRMT5 (0.55) PRMT5WDR77LMNAHTT
SCHEMBL22354535 0.74 PRMT5 (0.80) PRMT5WDR77LMNAHTTSMN1; SMN2
SCHEMBL6549259 0.73 HSF1 (0.46) SMN1; SMN2MAPT

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
EP-1115697-B1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS GENE KUTATO KFT N (HU) 2004-02-04 EP disclosed
US-6500823-B1 ENERGY DEFICIENCY OF THE CELL CAUSED BY PARP INHIBITION, IN DIABETES COMPLICATIONS, IN OXYGEN DEFICIENT STATUS OF THE HEART AND BRAIN, IN NEURODEGENERATIVE DISEASES, IN THE TREATMENT OF AUTOIMMUNE AND/OR VIRAL DISEASES N-GENE RESEARCH LABORATORIES, INC. 2002-12-31 US disclosed
EP-1115697-A1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS N-Gene Kutato KFT. (HU) 2001-07-18 EP disclosed
WO-2000014054-A1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS N-Gene Kutató Kft. (HU) 2000-03-16 WO disclosed