SCHEMBL8475449

SCHEMBL8475449

C#CC1CN(C(=O)c2ccccc2)CCC1O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 6/20 0.54
ACHE P22303 1/20 0.51
GRM5 P41594 1/20 0.48
EPHX1 P07099 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MGLL Q99685 1/20 0.47
HSD11B1 P28845 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 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
SCHEMBL8919161 0.82 SLC18A3 (0.62) SLC18A3ACHEGRM5EPHX1L3MBTL3
SCHEMBL3662252 0.80 ACHE (0.63) ACHEGRM5EPHX1L3MBTL3L3MBTL1
SCHEMBL8476630 0.78 SLC18A3 (0.58) SLC18A3ACHEGRM5EPHX1L3MBTL3
SCHEMBL5871923 0.77 ACHE (0.62) SLC18A3ACHEGRM5EPHX1L3MBTL3
SCHEMBL12442621 0.77 ACHE (0.62) SLC18A3ACHEGRM5EPHX1L3MBTL3
SCHEMBL2720515 0.77 ACHE (0.62) SLC18A3ACHEGRM5EPHX1L3MBTL3
SCHEMBL8472183 0.75 SLC18A3 (0.55) SLC18A3ACHEGRM5EPHX1L3MBTL3
SCHEMBL16695294 0.75 ACHE (0.60) ACHEEPHX1L3MBTL3L3MBTL1MGLL
SCHEMBL8474593 0.74 SLC18A3 (0.54) SLC18A3ACHEGRM5EPHX1L3MBTL3
SCHEMBL1719734 0.74 MGLL (0.68) SLC18A3ACHEMGLLHSD11B1MEN1

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-5919797-A DIAGNOSIS, THERAPY PSYCHOLOGICAL DISORDERS EMORY UNIVERSITY (US) 1999-07-06 US disclosed
WO-1997040010-A1 HALOGENATED NAPHTHYL METHOXY PIPERIDINES FOR MAPPING SEROTONIN TRANSPORTER SITES EMORY UNIVERSITY (US) 1997-10-30 WO disclosed