SCHEMBL8068709

SCHEMBL8068709

Cc1cccc(NC(=O)N2CCc3c(n(CC(=O)OC(C)(C)C)c4ccccc34)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.52
ALDH1A1 P00352 1/20 0.43
CCKBR P32239 1/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
FAAH O00519 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL8056983 0.83 HDAC6 (0.58) PTGDR2HDAC1HDAC6FAAHHDAC10
SCHEMBL6484797 0.82 HDAC1 (0.49) PTGDR2ALDH1A1MAPTHDAC1HDAC6
SCHEMBL3085461 0.80 PTGDR2 (0.81) PTGDR2HDAC1HDAC6HDAC10HDAC8
SCHEMBL4185797 0.78 HDAC1 (0.56) PTGDR2HDAC1HDAC6
SCHEMBL8068712 0.77 CCKBR (0.44) PTGDR2CCKBRMAPTHDAC8
SCHEMBL8057235 0.76 HDAC1 (0.52) PTGDR2HDAC1HDAC6HDAC10
SCHEMBL7220006 0.75 MAPT (0.54) PTGDR2ALDH1A1MAPT
SCHEMBL6421798 0.74 HDAC1 (0.55) PTGDR2HDAC1HDAC6
SCHEMBL6421094 0.74 PTGDR2 (0.59) PTGDR2HDAC1HDAC6
SCHEMBL8068660 0.73 CCKBR (0.52) ALDH1A1CCKBRRAB9AMAPTFAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057311-A TREATING EATING DISORDERS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-02 US disclosed
WO-1997032860-A1 BENZODIAZONINE DERIVATIVES BINDING TO CHOLECYSTOKININ OR GASTRIN RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 1997-09-12 WO disclosed