SCHEMBL3404425

SCHEMBL3404425

CC(C)(C)OC(=O)N1CCC(C(C#N)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.50
USP30 Q70CQ3 3/20 0.47
JAK2 O60674 4/20 0.46
JAK1 P23458 4/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KCNA3 P22001 1/20 0.43
STS P08842 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3404423 1.00 GPR119 (0.50) GPR119USP30JAK2JAK1KDM4E
SCHEMBL8354494 0.88 NPY2R (0.46) MEN1KMT2AALDH1A1
SCHEMBL27099778 0.84 GPR119 (0.55) GPR119USP30JAK2JAK1KDM4E
SCHEMBL3407330 0.80 ACHE (0.48) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3407333 0.80 ACHE (0.48) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL14939767 0.79 GPR119 (0.42) GPR119USP30JAK2JAK1KDM4E
SCHEMBL16577073 0.78 GPR119 (0.61) GPR119USP30KDM4EPKMMEN1
SCHEMBL22468809 0.78 MEN1 (0.51) GPR119MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL10360733 0.78 KDM4E (0.42) KDM4EMEN1KMT2AALDH1A1
SCHEMBL239883 0.77 NPY2R (0.65) GPR119KDM4EPKMMEN1KMT2A

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-2261205-A1 METHOD OF PRODUCING (S)-3-(1-CYANO-1,1-DIPHENYLMETHYL)-PYRROLIDINE Kaneka Corporation (JP) 2010-12-15 EP claimed
EP-2261205-A1 METHOD OF PRODUCING (S)-3-(1-CYANO-1,1-DIPHENYLMETHYL)-PYRROLIDINE Kaneka Corporation (JP) 2010-12-15 EP disclosed