SCHEMBL29508690

SCHEMBL29508690

O=C1NCCN1c1cccc(OCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.67
GRM5 P41594 1/20 0.56
SNRNP200 O75643 1/20 0.51
MAOB P27338 4/20 0.50
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
MAOA P21397 1/20 0.47
NSD2 O96028 1/20 0.47
ABL1 P00519 1/20 0.47
PPARG P37231 1/20 0.47
RIN1 Q13671 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
NR4A2 P43354 1/20 0.47
NAAA Q02083 2/20 0.46
BCHE P06276 1/20 0.46
LIPC P11150 1/20 0.46
ACHE P22303 1/20 0.46
LIPE Q05469 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL22750386 1.00 ALOX5 (0.67) ALOX5GRM5SNRNP200MAOBDDB1
SCHEMBL14280129 0.86 ALOX5 (0.53) ALOX5MAOBDDB1CRBNMAOA
SCHEMBL3977885 0.85 ALOX5 (0.59) ALOX5GRM5SNRNP200MAOBMAOA
SCHEMBL4444307 0.84 ALOX5 (0.51) ALOX5GRM5SNRNP200MAOBDDB1
SCHEMBL5737605 0.82 GRM5 (0.59) ALOX5GRM5SNRNP200MAOBDDB1
SCHEMBL9645227 0.81 ALOX5 (1.00) ALOX5GRM5
SCHEMBL8915218 0.80 FFAR4 (0.46) ALOX5L3MBTL1
SCHEMBL4434062 0.79 ALOX5 (0.46) ALOX5GRM5SNRNP200MAOB
SCHEMBL13097411 0.78 GRM5 (0.56) ALOX5GRM5SNRNP200MAOBDDB1
SCHEMBL13097167 0.77 GRM5 (0.54) ALOX5GRM5SNRNP200MAOBDDB1

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
CN-118974013-A Pyrrolidine compounds 伊莱利利公司 2024-11-15 CN disclosed
EP-3980409-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2022-04-13 EP disclosed
CN-114008021-A Pyrrolidine compounds 伊莱利利公司 2022-02-01 CN disclosed