SCHEMBL9364772

SCHEMBL9364772

CCOC(=O)C1(C)CNc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.59
OPRM1 P35372 6/20 0.43
POLB P06746 1/20 0.41
ADCY8 P40145 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
OPRD1 P41143 4/20 0.39
OPRK1 P41145 4/20 0.39
GAA P10253 2/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL20506587 0.83 KDM4E (0.43) BRD4POLBSMN1; SMN2IDO1TDO2
SCHEMBL29897761 0.83 KDM4E (0.43) BRD4POLBSMN1; SMN2IDO1TDO2
SCHEMBL22864551 0.80 BRD4 (0.53) BRD4OPRM1POLBADCY8SMN1; SMN2
SCHEMBL29800901 0.80 BRD4 (0.53) BRD4OPRM1POLBADCY8SMN1; SMN2
SCHEMBL6448185 0.78 BRD4 (0.39) BRD4SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL29897781 0.78 BRD4 (0.39) BRD4SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL22864629 0.76 BRD4 (0.38) BRD4POLBSMN1; SMN2IDO1TDO2
SCHEMBL22864673 0.74 BRD4 (0.37) BRD4POLBSMN1; SMN2IDO1TDO2
SCHEMBL31378040 0.74 BRD4 (0.37) BRD4POLBSMN1; SMN2IDO1TDO2
SCHEMBL8566418 0.73 BRD4 (0.55) BRD4OPRM1POLBSMN1; SMN2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287196-B1 Indole derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1994-11-23 EP disclosed
US-4920127-A TREATMENT OF MIGRAINE, TRIGEMINAL NEURALGIA BEECHAM GROUP P.L.C. (GB) 1990-04-24 US disclosed
EP-0287196-A1 Indole derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-10-19 EP disclosed