SCHEMBL627206

SCHEMBL627206

CC(C)(C)OC(=O)N1CC2CN(c3nn4c(I)cnc4s3)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
NR1H2 P55055 1/20 0.41
PDE10A Q9Y233 2/20 0.38
GPR119 Q8TDV5 8/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
JAK1 P23458 1/20 0.35
SPR P35270 1/20 0.35
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL627264 0.85 CKS1B (0.43) GPR119LMNATHRB
SCHEMBL627512 0.82 CKS1B (0.36) USP30GPR119OPRM1OPRD1OGFRL1
SCHEMBL628406 0.81 CYP11B2 (0.44) GPR119LMNATHRB
SCHEMBL627266 0.80 CYP11B2 (0.41) GPR119SPR
SCHEMBL627207 0.78 OPRM1 (0.39) USP30NR1H2PDE10AGPR119OPRM1
SCHEMBL627208 0.78 USP30 (0.33) USP30NR1H2GPR119LMNA
SCHEMBL627421 0.77 RET (0.44)
SCHEMBL929100 0.77 USP30 (0.48) USP30NR1H2PDE10AGPR119OPRM1
SCHEMBL627308 0.77 PIK3CA (0.49) USP30
SCHEMBL23268357 0.76 RET (0.33) PDE10ALMNATHRB

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
WO-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed
WO-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed