SCHEMBL9762885

SCHEMBL9762885

CC(C#N)C(O)CN(C)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 4/20 0.44
LMNA P02545 2/20 0.44
MAOB P27338 2/20 0.44
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
PYCR1 P32322 1/20 0.44
ALDH1A1 P00352 4/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL18002366 0.82 DNM1 (0.51) DNM1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4530213 0.78 DNM1 (0.54) DNM1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4530889 0.78 DNM1 (0.54) DNM1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6219972 0.78 TRPA1 (0.59) DNM1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9762677 0.76 DNM1 (0.54) DNM1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9761751 0.76 DNM1 (0.54) DNM1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9762895 0.76 DNM1 (0.54) DNM1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9700093 0.76 DNM1 (0.55) DNM1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11636068 0.76 SMN1; SMN2 (0.51) DNM1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL16264696 0.74 TSHR (0.56) DNM1SMN1; SMN2KDM4EMEN1KMT2A

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
US-4990683-A Process for preparing 3-pyrrolidinols A. H. ROBINS COMPANY, INCORPORATED (US) 1991-02-05 US disclosed
EP-0269258-A2 Process for the preparation of a pyrrolidinol compound A.H. ROBINS COMPANY, INCORPORATED (US) 1988-06-01 EP disclosed