SCHEMBL6338071

SCHEMBL6338071

CC1CC(O)(c2c(F)c(F)cc3ccoc23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
NR1H2 P55055 9/20 0.34
NR1H3 Q13133 8/20 0.34
RXRA P19793 7/20 0.34
ACACB O00763 1/20 0.33
NTRK1 P04629 1/20 0.33
MAP4K4 O95819 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ABCB1 P08183 1/20 0.32
HSD11B1 P28845 1/20 0.32
SETD7 Q8WTS6 1/20 0.32
USP30 Q70CQ3 1/20 0.31

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
SCHEMBL6335039 0.85 NR1H2 (0.39) JAK2JAK1NR1H2NR1H3RXRA
SCHEMBL6332911 0.81 NR1H2 (0.39) JAK2JAK1NR1H2NR1H3RXRA
SCHEMBL16423025 0.73 LMNA (0.42) JAK2JAK1SETD7
SCHEMBL5761284 0.73 CHRNA7 (0.37) JAK2JAK1NR1H2NR1H3RXRA
SCHEMBL5757976 0.72 ALDH1A1 (0.37) JAK2JAK1NR1H2NR1H3RXRA
SCHEMBL6330650 0.72 NR1H2 (0.33) NR1H2NR1H3RXRAGPR119ABCB1
SCHEMBL18689673 0.71 JAK2 (0.44) JAK2JAK1NR1H2NR1H3RXRA
SCHEMBL18616707 0.70 GRM5 (0.44) JAK2JAK1NR1H2NR1H3RXRA
SCHEMBL30867740 0.70 POLB (0.40) JAK2JAK1NR1H2NR1H3RXRA
SCHEMBL30868167 0.70 POLB (0.40) JAK2JAK1NR1H2NR1H3RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed
EP-1204659-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009122-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed