SCHEMBL8068660

SCHEMBL8068660

Cc1cccc(NC(=O)N2CCC(=O)c3ccccc3N(CC(=O)OC(C)(C)C)C(=O)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.52
RAB9A P51151 4/20 0.46
MAPT P10636 2/20 0.46
BCHE P06276 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.41
KDR P35968 1/20 0.41
LMNA P02545 1/20 0.41
FAAH O00519 1/20 0.40
DRD4 P21917 1/20 0.40
NPC1 O15118 2/20 0.40
CCKAR P32238 1/20 0.39

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
SCHEMBL8067453 0.90 BCHE (0.46) CCKBRRAB9AMAPTBCHECES1
SCHEMBL8056976 0.88 BCHE (0.49) CCKBRRAB9AMAPTBCHECES1
SCHEMBL8068853 0.87 MAPT (0.47) CCKBRRAB9AMAPTALDH1A1TP53
SCHEMBL8057168 0.86 CCKBR (0.60) CCKBRRAB9AMAPTALDH1A1LMNA
SCHEMBL8072817 0.85 RAB9A (0.54) CCKBRRAB9ABCHECES1ALDH1A1
SCHEMBL8067879 0.85 RAB9A (0.48) CCKBRRAB9AMAPTBCHECES1
SCHEMBL8056977 0.83 FAAH (0.50) RAB9AMAPTBCHECES1ALDH1A1
SCHEMBL8067607 0.77 CCKBR (0.61) CCKBRRAB9AMAPTALDH1A1LMNA
SCHEMBL8066440 0.75 FAAH (0.48) RAB9AMAPTBCHECES1ALDH1A1
SCHEMBL8068709 0.73 PTGDR2 (0.52) CCKBRRAB9AMAPTALDH1A1FAAH

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 1 patent. 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