SCHEMBL9044936

SCHEMBL9044936

CC(c1ccncc1)N(C)C(=O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GRIN2B Q13224 1/20 0.39
AOC3 Q16853 1/20 0.38
PREP P48147 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
ECE1 P42892 1/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9044938 0.83 POLB (0.39) POLBCYP2D6CYP2C9GRIN2BKDM4E
SCHEMBL7143079 0.80 CPT2 (0.47) POLBPREPKDM4ELMNA
SCHEMBL7138322 0.76 POLB (0.42) POLBPREPKDM4ELMNAACE2
SCHEMBL7142747 0.75 POLB (0.41) POLBPREPKDM4ELMNAACE2
SCHEMBL7149001 0.75 POLB (0.41) POLBPREPKDM4ELMNAECE1
SCHEMBL7143386 0.74 POLB (0.41) POLBPREP
SCHEMBL17424350 0.73 GRIN2B (0.41) POLBGRIN2B
SCHEMBL7144595 0.73 POLB (0.48) POLBPREPKDM4ELMNAACE2
SCHEMBL7150010 0.72 POLB (0.47) POLBPREPKDM4ELMNA
SCHEMBL20315235 0.71 PSEN1 (0.45) POLBKDM4ELMNA

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