SCHEMBL8056983

SCHEMBL8056983

Cc1cccc(NC(=O)N2CCc3c(n(Cc4ccccc4)c4ccccc34)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
PTGDR2 Q9Y5Y4 1/20 0.54
F10 P00742 1/20 0.51
FAAH O00519 1/20 0.51

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
SCHEMBL8068709 0.83 PTGDR2 (0.52) HDAC6HDAC1HDAC10HDAC8PTGDR2
SCHEMBL3085461 0.82 PTGDR2 (0.81) HDAC6HDAC1HDAC10HDAC8PTGDR2
SCHEMBL9615138 0.79 HDAC6 (0.64) HDAC6HDAC1HDAC10PTGDR2
SCHEMBL14890799 0.79 ENPP2 (0.69) PTGDR2F10
SCHEMBL14891077 0.78 ENPP2 (0.56) F10
SCHEMBL10154881 0.77 HDAC6 (0.58) HDAC6HDAC1HDAC10HDAC8PTGDR2
SCHEMBL7220006 0.77 MAPT (0.54) PTGDR2
SCHEMBL14489612 0.76 F10 (0.73) HDAC6HDAC1HDAC10HDAC8F10
SCHEMBL14891392 0.75 ENPP2 (0.64) HDAC6HDAC1PTGDR2
SCHEMBL14891339 0.75 ENPP2 (0.61) HDAC6HDAC1HDAC10HDAC8

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-1014991-A1 PROSTAGLANDIN DERIVATIVES DEVOID OF SIDE-EFFECTS FOR THE TREATMENT OF GLAUCOMA Pharmacia & Upjohn AB (SE) 2000-07-05 EP disclosed
US-6057311-A TREATING EATING DISORDERS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-02 US disclosed
WO-1999002165-A1 PROSTAGLANDIN DERIVATIVES DEVOID OF SIDE-EFFECTS FOR THE TREATMENT OF GLAUCOMA PHARMACIA & UPJOHN AB (SE) 1999-01-21 WO disclosed
WO-1997032860-A1 BENZODIAZONINE DERIVATIVES BINDING TO CHOLECYSTOKININ OR GASTRIN RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 1997-09-12 WO disclosed