SCHEMBL9044938

SCHEMBL9044938

CN(CCc1ccncc1)C(=O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GRIN2B Q13224 1/20 0.39
LTB4R Q15722 2/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ECE1 P42892 1/20 0.37
AGTR2 P50052 1/20 0.36

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
SCHEMBL7143079 0.84 CPT2 (0.47) POLBKDM4ELMNANPC1SMN1; SMN2
SCHEMBL9039615 0.83 ATM (0.37) POLBNPC1SMN1; SMN2
SCHEMBL9042267 0.83 ATM (0.37) POLBNPC1SMN1; SMN2
SCHEMBL9044936 0.83 POLB (0.41) POLBCYP2D6CYP2C9GRIN2BKDM4E
SCHEMBL9040751 0.82 AOC3 (0.40)
SCHEMBL7141674 0.79 POLB (0.38) POLBCYP2C9NPC1SMN1; SMN2
SCHEMBL9040067 0.79 POLB (0.42) POLBKDM4ENPC1SMN1; SMN2
SCHEMBL9040072 0.79 POLB (0.42) POLBKDM4ENPC1SMN1; SMN2
SCHEMBL7143386 0.76 POLB (0.41) POLBNPC1SMN1; SMN2
SCHEMBL7149001 0.75 POLB (0.41) POLBKDM4ELMNANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551993-B1 Pyrrolidine derivatives and process for preparing the same SUMITOMO PHARMA (JP) 1996-07-10 EP disclosed
US-5322952-A Pyrrolidine derivatives and process for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-06-21 US disclosed
EP-0551993-A1 Pyrrolidine derivatives and process for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-07-21 EP disclosed