SCHEMBL8073114

SCHEMBL8073114

CC(C)(C)OC(=O)CN1C(=O)CN(C(=O)OCc2ccccc2)CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 12/20 0.49
SIGMAR1 Q99720 12/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CXCR3 P49682 1/20 0.44

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
SCHEMBL4388657 0.79 MEN1 (0.45) TMEM97SIGMAR1NPC1RAB9ACXCR3
SCHEMBL29035758 0.78 POLB (0.54)
SCHEMBL8057168 0.76 CCKBR (0.60) RAB9AL3MBTL1
SCHEMBL8067607 0.75 CCKBR (0.61) NPC1RAB9AL3MBTL1
SCHEMBL17736 0.74 MEN1 (0.49) TMEM97SIGMAR1NPC1RAB9AL3MBTL1
SCHEMBL21876840 0.74 MEN1 (0.49) TMEM97SIGMAR1NPC1RAB9A
SCHEMBL25180666 0.73 MEN1 (0.53) TMEM97SIGMAR1NPC1RAB9A
SCHEMBL10316948 0.73 MEN1 (0.53) TMEM97SIGMAR1NPC1RAB9A
SCHEMBL8057095 0.73 MAPT (0.47)
SCHEMBL5966758 0.73 CCKBR (0.48)

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