SCHEMBL6984123

SCHEMBL6984123

CC(C)(C)OC(=O)c1c[nH]c2ccc(C#CCCCO)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.46
GABRG2 P18507 6/20 0.46
GABRB3 P28472 6/20 0.46
GABRA3 P34903 6/20 0.46
GABRA2 P47869 6/20 0.46
GABRA5 P31644 4/20 0.41
GABRA6 Q16445 4/20 0.41
GABRA4 P48169 3/20 0.41
NR4A2 P43354 7/20 0.40
CREBBP Q92793 1/20 0.37
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL6049274 0.83 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7217088 0.81 PRKAB2 (0.36) NR4A2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6631032 0.79 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6648434 0.76 GABRA1 (0.46) GABRA1NR4A2CREBBPGABRB2PRKAB2
SCHEMBL22032169 0.75 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6991795 0.73 NR4A2 (0.51) NR4A2CREBBPLMNAMAPTNPSR1
SCHEMBL6699986 0.72 NR4A2 (0.72) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL1007089 0.72 NR4A2 (0.50) NR4A2CREBBPLMNARAB9AMEN1
SCHEMBL6986880 0.72 NR4A2 (0.72) GABRA1GABRA3NR4A2CREBBPGABRB1
SCHEMBL15557355 0.72 KDM4E (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2

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
EP-1349833-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
WO-2002044149-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-06 WO disclosed