SCHEMBL880976

SCHEMBL880976

CC(=O)NC1CCC2C=CC[C@@H]21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
ATM Q13315 1/20 0.32
OGA O60502 1/20 0.31
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL880979 1.00 SMN1; SMN2 (0.35) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1
SCHEMBL470848 1.00 SMN1; SMN2 (0.35) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1
SCHEMBL1901754 0.72 PSEN1 (0.45) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1
SCHEMBL11719403 0.68 CYP2C9 (0.42) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1
SCHEMBL11683106 0.67 PSEN1 (0.52) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1
SCHEMBL19909860 0.67 CYP2C9 (0.37) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1
SCHEMBL5052551 0.67 CYP2C9 (0.38) SMN1; SMN2NPSR1CYP2C9CYP2C19MTNR1A
SCHEMBL13807076 0.67 CYP2C9 (0.38) SMN1; SMN2NPSR1CYP2C9CYP2C19MTNR1A
SCHEMBL13805721 0.67 CYP2C9 (0.38) SMN1; SMN2NPSR1CYP2C9CYP2C19MTNR1A
SCHEMBL15180280 0.66 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1CYP2C9CYP2C19PSEN1

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-2433926-A1 Pleuromutilin derivatives for use in the treatment of diseases mediated by microbes Nabriva Therapeutics AG (AT) 2012-03-28 EP disclosed