SCHEMBL11719403

SCHEMBL11719403

CC(=O)NC1CCC2CC21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.37
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
CXCR2 P25025 1/20 0.36
OGA O60502 1/20 0.34
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
GRM6 O15303 2/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 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
SCHEMBL11683884 0.80 ALDH1A1 (0.45) CYP2C9CYP2C19ATMSMN1; SMN2NPSR1
SCHEMBL470719 0.79 ALDH1A1 (0.43) CYP2C9CYP2C19ATMSMN1; SMN2NPSR1
SCHEMBL1901754 0.78 PSEN1 (0.45) CYP2C9CYP2C19ATMSMN1; SMN2NPSR1
SCHEMBL8311723 0.77 EPHX2 (0.44) CYP2C9CYP2C19ATMSMN1; SMN2NPSR1
SCHEMBL66816 0.76 ATM (0.39) CYP2C9CYP2C19ATMSMN1; SMN2NPSR1
SCHEMBL9871837 0.76 ATM (0.39) CYP2C9CYP2C19ATMSMN1; SMN2NPSR1
SCHEMBL9973081 0.74 CYP2C9 (0.50) CYP2C9CYP2C19ATMSMN1; SMN2NPSR1
SCHEMBL6702128 0.74 BTK (0.46) CYP2C9
SCHEMBL1896872 0.73 SMN1; SMN2 (0.48) CYP2C9CYP2C19ATMSMN1; SMN2NPSR1
SCHEMBL24556900 0.73 PSEN1 (0.47) CYP2C9CYP2C19ATMSMN1; SMN2NPSR1

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
US-4064258-A Thiazole cardiovascular agents SYNTEX (U.S.A.) INC. (US) 1977-12-20 US disclosed