SCHEMBL12321672

SCHEMBL12321672

CC(C)(C)c1ncn(-c2cccc(C(C)(C)c3cccc(-c4ccc(F)cc4F)n3)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ MAPK14 Q16539 2/20 0.32
▸ F2RL3 Q96RI0 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL10056578 0.80 KMO (0.42) FAAHKMOF2RL3
SCHEMBL12321675 0.70 KMO (0.49) FAAHKMOCYP2C9
SCHEMBL13934533 0.69 CNR2 (0.38) CNR1
SCHEMBL12626950 0.69 ALPL (0.35) KMO
SCHEMBL19072687 0.69 KMO (0.43) KMO
SCHEMBL12322371 0.68 ALPL (0.36) KMO
SCHEMBL21849281 0.66 KEAP1 (0.44) FAAHMAPK14
SCHEMBL13261826 0.66 KMO (0.51) FAAHKMOF2RL3
SCHEMBL10326651 0.65 NPC1 (0.37) —
SCHEMBL13780070 0.63 NPC1 (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1808052-B2 ORGANIC ELECTROLUMINESCENT DEVICE UDC IRELAND LTD (IE) 2016-04-06 — — EP disclosed
EP-1808052-B1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORP (JP) 2011-09-07 — — EP disclosed
US-7947383-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2011-05-24 — — US disclosed
US-7947383-B2 Organic electroluminescent device FUJIFILM CORPORATION (JP) 2011-05-24 — — US disclosed
US-20080001530-A1 Organic Electroluminescent Device UDC IRELAND LIMITED (IE) 2008-01-03 — — US disclosed
US-20080001530-A1 Organic Electroluminescent Device UDC IRELAND LIMITED (IE) 2008-01-03 — — US disclosed
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