SCHEMBL627207

SCHEMBL627207

CC(C)(C)OC(=O)N1CC2CN(c3nn4cc(I)nc4s3)CC2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
OGFRL1 Q5TC84 2/20 0.39
OPRD1 P41143 1/20 0.39
PDE10A Q9Y233 2/20 0.38
NR1H2 P55055 1/20 0.38
USP30 Q70CQ3 1/20 0.38
GPR119 Q8TDV5 8/20 0.36
KDM4E B2RXH2 1/20 0.35
SPR P35270 1/20 0.35
KCNK3 O14649 2/20 0.34
KCNK9 Q9NPC2 2/20 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
SCHEMBL627265 0.85 CKS1B (0.41) GPR119
SCHEMBL627513 0.82 OPRM1 (0.37) OPRM1OPRK1OGFRL1OPRD1USP30
SCHEMBL628407 0.81 CYP11B2 (0.44) GPR119
SCHEMBL627267 0.80 CYP11B2 (0.41) SPR
SCHEMBL627206 0.78 USP30 (0.42) OPRM1OPRK1OGFRL1OPRD1PDE10A
SCHEMBL627422 0.78 RET (0.42)
SCHEMBL627309 0.76 MAP3K12 (0.46) USP30
SCHEMBL625742 0.76 THRB (0.43) USP30
SCHEMBL627193 0.75 BTK (0.46) PDE10A
SCHEMBL929100 0.75 USP30 (0.48) OPRM1OPRK1OGFRL1OPRD1PDE10A

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