SCHEMBL28043329

SCHEMBL28043329

[CH2]CCOc1ccc(F)cc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 3/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 1/20 0.39
LTB4R Q15722 3/20 0.38
LTB4R2 Q9NPC1 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.37
HTR2C P28335 2/20 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
SCHEMBL23188908 0.86 HTR2C (0.48) L3MBTL1KDM4EMAPTNPSR1USP2
SCHEMBL11919293 0.84 L3MBTL1 (0.45) L3MBTL1KDM4EMAPTNPSR1HTR2A
SCHEMBL18977773 0.83 L3MBTL1 (0.51) L3MBTL1KDM4EMAPTNPSR1USP2
SCHEMBL18914636 0.83 LTB4R (0.46) L3MBTL1KDM4EMAPTNPSR1KCNH2
SCHEMBL15417752 0.82 L3MBTL1 (0.52) L3MBTL1KDM4EMAPTNPSR1HTR2A
SCHEMBL25475056 0.80 MRGPRX4 (0.47) L3MBTL1KDM4EMAPTNPSR1SLC6A4
SCHEMBL6473919 0.78 L3MBTL1 (0.67) L3MBTL1KDM4EMAPTNPSR1HPGD
SCHEMBL73644 0.78 MEN1 (0.41) L3MBTL1HPGDMEN1ALDH1A1POLB
SCHEMBL321697 0.77 KDM4E (0.53) KDM4EUSP2SMN1; SMN2HTR2ASLC6A4
SCHEMBL30785121 0.77 KDM4E (0.53) KDM4EUSP2SMN1; SMN2HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105254552-A 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE INC 2016-01-20 CN disclosed