SCHEMBL12446002

SCHEMBL12446002

CC(=O)O[C@@H]1CCC2[C@H](O)CC[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.40
CHRM1 P11229 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM4 P08173 2/20 0.37
CHRM3 P20309 2/20 0.37
APOBEC3A P31941 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL12446042 1.00 CHRM2 (0.40) CHRM2CHRM1KMT2AMEN1CYP2D6
SCHEMBL12446592 1.00 CHRM2 (0.40) CHRM2CHRM1KMT2AMEN1CYP2D6
SCHEMBL22006156 0.89 CHRM2 (0.47) CHRM2CHRM1KMT2AMEN1CYP2D6
SCHEMBL13079825 0.89 CHRM2 (0.47) CHRM2CHRM1KMT2AMEN1CYP2D6
SCHEMBL17807032 0.89 CHRM2 (0.47) CHRM2CHRM1KMT2AMEN1CYP2D6
SCHEMBL28522654 0.89 CHRM2 (0.47) CHRM2CHRM1KMT2AMEN1CYP2D6
SCHEMBL10064089 0.81 ALDH1A1 (0.34)
SCHEMBL25036558 0.81 CHRM2 (0.41) CHRM2CHRM1KMT2AMEN1CYP2D6
SCHEMBL6898147 0.80 CHRM2 (0.35) CHRM2CHRM1KMT2AMEN1CYP2D6
SCHEMBL19725575 0.79 CHRM2 (0.40) CHRM2CHRM1KMT2AMEN1CYP2D6

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
WO-2011097717-A1 SYNTHESIS OF BICYCLIC COMPOUNDS AND METHOD FOR THEIR USE AS THERAPEUTIC AGENTS UNIVERSITY OF VICTORIA INNOVATION AND DEVELOPMENT CORPORATION (CA) 2011-08-18 WO disclosed