SCHEMBL29189673

SCHEMBL29189673

CC(=O)O[C@@H]1COCC1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.38
CHRM1 P11229 3/20 0.38
CYP2D6 P10635 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
CYP2C19 P33261 1/20 0.34
BCHE P06276 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL14627937 1.00 CHRM2 (0.38) CHRM2CHRM1CYP2D6KMT2AMEN1
SCHEMBL29189672 1.00 CHRM2 (0.38) CHRM2CHRM1CYP2D6KMT2AMEN1
SCHEMBL24752585 1.00 CHRM2 (0.38) CHRM2CHRM1CYP2D6KMT2AMEN1
SCHEMBL10440862 0.88 CHRM2 (0.42) CHRM2CHRM1CYP2D6KMT2AMEN1
SCHEMBL19082714 0.84 CHRM2 (0.38) CHRM2CHRM1CYP2D6KMT2AMEN1
SCHEMBL24752327 0.84 CHRM2 (0.38) CHRM2CHRM1CYP2D6KMT2AMEN1
SCHEMBL17294429 0.84 CHRM2 (0.38) CHRM2CHRM1CYP2D6KMT2AMEN1
SCHEMBL24792569 0.84 CHRM2 (0.38) CHRM2CHRM1CYP2D6KMT2AMEN1
SCHEMBL24145355 0.82 POLB (0.38) CHRM2CHRM1CYP2D6KMT2AMEN1
SCHEMBL17928956 0.82 POLB (0.38) CHRM2CHRM1CYP2D6KMT2AMEN1

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-117881681-A Substituted pyrrolo [2,3-d ] pyrimidines, their preparation and their therapeutic use 赛诺菲 2024-04-12 CN disclosed