SCHEMBL6778385

SCHEMBL6778385

CC(C)(C)OC(=O)N1CCN(C(=O)CN2CCC(=O)N(CC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CCC2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 2/20 0.51
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1L1 Q9UHC9 1/20 0.42
ALDH1A1 P00352 4/20 0.42
GPR119 Q8TDV5 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4206491 0.92 DTYMK (0.49) DTYMKDDB1CRBNCHRM2CHRM4
SCHEMBL5539153 0.78 CHRM2 (0.56) DTYMKDDB1CRBNCHRM2CHRM4
SCHEMBL23536559 0.77 PIK3CD (0.47) DTYMKDDB1CRBNCHRM2CHRM4
SCHEMBL3985708 0.75 MEN1 (0.55) DTYMKDDB1CRBNCHRM2CHRM4
SCHEMBL15265090 0.75 GAA (0.56) DTYMKDDB1CRBNCHRM2CHRM4
SCHEMBL3968708 0.75 USP2 (0.49) DDB1CRBNUSP2SMN1; SMN2ALDH1A1
SCHEMBL734678 0.75 DDB1 (0.44) DTYMKDDB1CRBNCHRM2CHRM4
SCHEMBL4068455 0.75 KMT2A (0.42) DTYMKDDB1CRBNCHRM2CHRM4
SCHEMBL1571128 0.75 USP2 (0.43) DTYMKDDB1CRBNCHRM2CHRM4
SCHEMBL18294 0.75 USP2 (0.69) USP2SMN1; SMN2ALDH1A1GPR119MEN1

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-1208089-B1 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2004-10-13 EP disclosed
US-6673786-B1 TREATING ALLERGIC OR INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-01-06 US disclosed