SCHEMBL6963967

SCHEMBL6963967

C=CCOC(=O)N1CCC(N2CC[C@@H]([PH](c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CHRM1 P11229 1/20 0.38
FAAH O00519 3/20 0.38
MGLL Q99685 1/20 0.38
PARP1 P09874 1/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
NR1D1 P20393 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
ELANE P08246 1/20 0.33
TEAD1 P28347 1/20 0.33

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
SCHEMBL17387532 1.00 L3MBTL1 (0.39) L3MBTL1CHRM1FAAHMGLLPARP1
SCHEMBL3941458 0.81 GPR119 (0.51) GPR119USP30
SCHEMBL12546284 0.81 GPR119 (0.51) GPR119USP30
SCHEMBL3699887 0.81 GPR119 (0.51) GPR119USP30
SCHEMBL12306324 0.81 GPR119 (0.51) GPR119USP30
Bromide SCHEMBL2672194 0.79 FAAH (0.41) L3MBTL1CHRM1FAAHMGLLPARP1
Bromide SCHEMBL6962165 0.79 FAAH (0.41) L3MBTL1CHRM1FAAHMGLLPARP1
Bromide SCHEMBL2460258 0.79 FAAH (0.41) L3MBTL1CHRM1FAAHMGLLPARP1
Bromide SCHEMBL6962170 0.79 FAAH (0.41) L3MBTL1CHRM1FAAHMGLLPARP1
Bromide SCHEMBL3237328 0.79 FAAH (0.41) L3MBTL1CHRM1FAAHMGLLPARP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0849269-B9 Vinyl pyrrolidine cephalosporins with basic substituents BASILEA PHARMACEUTICA AG (CH) 2003-03-05 EP claimed
EP-0849269-B1 Vinyl pyrrolidine cephalosporins with basic substituents BASILEA PHARMACEUTICA AG (CH) 2002-07-10 EP claimed