SCHEMBL2587030

SCHEMBL2587030

CC(C)(C)OC(=O)N1Cc2cc(C3(Cl)CCC(c4noc5cccnc45)CC3)ccc2-n2cnnc2C1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.32
OXTR P30559 3/20 0.32
AVPR1A P37288 3/20 0.32
AVPR2 P30518 3/20 0.31
USP30 Q70CQ3 2/20 0.31
KCNH2 Q12809 2/20 0.31
IDH1 O75874 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
POLB P06746 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
SCHEMBL2586133 0.90 AVPR1A (0.33) GPR119OXTRAVPR1AAVPR2USP30
SCHEMBL2565485 0.87 FNTA (0.37) GPR119OXTRAVPR1AAVPR2KCNH2
SCHEMBL2579657 0.87 OXTR (0.36) GPR119OXTRAVPR1AAVPR2USP30
SCHEMBL2577744 0.87 OXTR (0.35) GPR119OXTRAVPR1AAVPR2KCNH2
SCHEMBL2586788 0.86 OXTR (0.32) GPR119OXTRAVPR1AAVPR2KCNH2
SCHEMBL2577034 0.86 POLB (0.38) GPR119OXTRAVPR1AAVPR2KCNH2
SCHEMBL2596229 0.86 OXTR (0.34) GPR119OXTRAVPR1ADDB1CRBN
SCHEMBL2581930 0.85 OXTR (0.34) GPR119OXTRAVPR1AAVPR2KCNH2
SCHEMBL2565904 0.85 AVPR2 (0.37) GPR119OXTRAVPR1AAVPR2USP30
SCHEMBL2538175 0.85 HTR2A (0.39) KCNH2

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
EP-2571879-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP claimed
WO-2011134877-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-03 WO claimed
EP-2571879-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
WO-2011134877-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-03 WO disclosed