SCHEMBL8280849

SCHEMBL8280849

CC(=O)N[C@H]1CN(C)C[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 4/20 0.41
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
HEXA P06865 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NSD2 O96028 1/20 0.31
ATM Q13315 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
GRM6 O15303 1/20 0.30
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30

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
SCHEMBL15521173 0.88 OGA (0.45) OGACYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL15521326 0.88 OGA (0.45) OGACYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL15521171 0.88 OGA (0.45) OGACYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL25680916 0.87 OGA (0.41) OGACYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL14426720 0.86 OGA (0.44) OGACYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL15980408 0.82 OGA (0.38) OGACYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL3260696 0.81 OGA (0.35) OGACYP2C9CYP2C19ALDH1A1NSD2
SCHEMBL3260694 0.81 OGA (0.35) OGACYP2C9CYP2C19ALDH1A1NSD2
SCHEMBL3260691 0.81 OGA (0.35) OGACYP2C9CYP2C19ALDH1A1NSD2
SCHEMBL3260689 0.81 OGA (0.35) OGACYP2C9CYP2C19ALDH1A1NSD2

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-2005080389-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS AS 5-HT4 RECEPTOR AGONISTS THERAVANCE, INC. (US) 2005-09-01 WO disclosed