SCHEMBL30867239

SCHEMBL30867239

CC1C(OC(F)(F)F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NR1H2 P55055 1/20 0.36
TACR1 P25103 2/20 0.34
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RORC P51449 1/20 0.33
HSD11B1 P28845 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL29132972 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2HSD17B10
SCHEMBL21576380 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2HSD17B10
SCHEMBL32664209 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2HSD17B10
SCHEMBL29132969 0.81 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2HSD17B10
SCHEMBL35211370 0.81 TACR1 (0.44) CHRM2CHRM1CHRM3NR1H2TACR1
SCHEMBL27319966 0.77 NR1H2 (0.42) CHRM2CHRM1CHRM3NR1H2HSD17B10
SCHEMBL21227876 0.77 NR1H2 (0.42) CHRM2CHRM1CHRM3NR1H2HSD17B10
SCHEMBL21227880 0.76 CHRM2 (0.37) CHRM2CHRM1CHRM3NR1H2HSD17B10
SCHEMBL30527687 0.76 CHRM2 (0.37) CHRM2CHRM1CHRM3NR1H2HSD17B10
SCHEMBL29906095 0.76 NR1H2 (0.39) CHRM2CHRM1CHRM3NR1H2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113993850-B Modulators of integrated stress response pathways 埃沃特克国际有限责任公司 2024-03-29 CN disclosed