SCHEMBL4074408

SCHEMBL4074408

CC(C)(C)OC(=O)N1C[C@H]2CC2C1CNc1cnc2cc(F)c(F)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.43
HCRTR2 O43614 9/20 0.43
GPR119 Q8TDV5 7/20 0.33
DPP4 P27487 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2925315 1.00 HCRTR1 (0.43) HCRTR1HCRTR2GPR119DPP4MEN1
SCHEMBL2925316 1.00 HCRTR1 (0.43) HCRTR1HCRTR2GPR119DPP4MEN1
SCHEMBL7079164 0.79 PRMT5 (0.48) HCRTR1HCRTR2DPP4
SCHEMBL7079166 0.79 PRMT5 (0.48) HCRTR1HCRTR2DPP4
SCHEMBL2932749 0.77 HCRTR2 (0.43) HCRTR1HCRTR2
SCHEMBL2930100 0.76 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2930099 0.76 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2931958 0.75 HCRTR1 (0.36) HCRTR1HCRTR2GPR119KMT2A
SCHEMBL2931957 0.75 HCRTR1 (0.36) HCRTR1HCRTR2GPR119KMT2A
SCHEMBL1340254 0.75 HCRTR1 (0.36) HCRTR1HCRTR2GPR119KMT2A

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-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO disclosed