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Sugi Predict / Compounds / SCHEMBL4008904

SCHEMBL4008904

SCHEMBL4008904

CC(C)(C(=O)Nc1ccc(C(F)(F)F)cn1)S(=O)(=O)CC1CCCO1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 2/20 0.41
▸ CNR2 P34972 12/20 0.40
▸ CNR1 P21554 5/20 0.39
▸ BRAF P15056 1/20 0.37
▸ NPY5R Q15761 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL4009700 0.94 CNR2 (0.39) GCKCNR2CNR1BRAFNPY5R
SCHEMBL1620968 0.85 NPY5R (0.48) GCKCNR2CNR1NPY5RNPC1
SCHEMBL1621095 0.84 NPY5R (0.47) GCKCNR2CNR1NPY5RNPC1
SCHEMBL4016742 0.83 NPC1 (0.42) CNR2CNR1NPC1
SCHEMBL1620231 0.83 CNR2 (0.50) CNR2CNR1BRAF
SCHEMBL1621563 0.82 CNR2 (0.49) CNR2CNR1BRAF
SCHEMBL4015488 0.82 NPC1 (0.44) CNR2CNR1NPC1
SCHEMBL1621338 0.81 NPY5R (0.51) GCKCNR2CNR1NPY5RNPC1
SCHEMBL4010277 0.80 CNR2 (0.34) GCKCNR2CNR1
SCHEMBL1621075 0.80 CNR2 (0.54) CNR2CNR1

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-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 — — EP claimed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 — — WO claimed