SCHEMBL3395200

SCHEMBL3395200

CC(C)(C)OC(=O)ON1CC2CN(Cc3ccccc3)CC2C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.47
S1PR5 Q9H228 3/20 0.44
S1PR1 P21453 1/20 0.44
FUCA1 P04066 2/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40

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
SCHEMBL5777377 0.86 S1PR5 (0.41) GRIN2BS1PR5S1PR1FUCA1KMT2A
SCHEMBL16053284 0.82 KCNK3 (0.55) GRIN2BS1PR5S1PR1KCNK3KCNK9
SCHEMBL584450 0.82 KCNK3 (0.55) GRIN2BS1PR5S1PR1KCNK3KCNK9
SCHEMBL18517590 0.82 GRIN2B (0.55) GRIN2BS1PR5S1PR1FUCA1KMT2A
SCHEMBL649847 0.82 KCNK3 (0.55) GRIN2BS1PR5S1PR1KCNK3KCNK9
Hydrochloric Acid SCHEMBL6093599 0.81 KCNK3 (0.54) GRIN2BS1PR5S1PR1KCNK3KCNK9
Hydrochloric Acid SCHEMBL6095348 0.81 KCNK3 (0.54) GRIN2BS1PR5S1PR1KCNK3KCNK9
SCHEMBL4717872 0.77 SMN1; SMN2 (0.51) KMT2A
SCHEMBL17228284 0.77 JAK2 (0.54) KMT2AKCNK3KCNK9
SCHEMBL25173575 0.77 S1PR5 (0.56) S1PR5S1PR1FUCA1KMT2AL3MBTL1

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
EP-1758853-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-01-20 EP disclosed