SCHEMBL8057095

SCHEMBL8057095

CC(C)(C)OC(=O)CN1C(=O)CNCCCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CCKBR P32239 3/20 0.46

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
SCHEMBL29035758 0.86 POLB (0.54) MAPTSMN1; SMN2CCKBR
SCHEMBL5966758 0.80 CCKBR (0.48) MAPTSMN1; SMN2CCKBR
SCHEMBL7371764 0.76 CCKBR (0.51) MAPTSMN1; SMN2CCKBR
SCHEMBL9692280 0.76 CCKBR (0.55) MAPTSMN1; SMN2CCKBR
SCHEMBL9776602 0.74 CCKBR (0.49) MAPTSMN1; SMN2CCKBR
SCHEMBL8283797 0.74 CCKBR (0.61) MAPTSMN1; SMN2CCKBR
SCHEMBL8073130 0.73 CCKBR (0.39) MAPTCCKBR
SCHEMBL8073114 0.73 TMEM97 (0.49)
SCHEMBL5698825 0.73 CCKBR (0.60) MAPTSMN1; SMN2CCKBR
SCHEMBL5672901 0.73 CCKBR (0.60) MAPTSMN1; SMN2CCKBR

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