SCHEMBL3714064

SCHEMBL3714064

COc1ccccc1CN(OCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TAS2R14 Q9NYV8 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
BCHE P06276 2/20 0.46
ACHE P22303 1/20 0.46
TSHR P16473 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
ABCB1 P08183 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL717758 0.81 ALDH1A1 (0.47) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL8545532 0.78 SLC1A5 (0.41) MEN1KMT2AL3MBTL1TSHR
SCHEMBL2034512 0.75 PPIB (0.51) KMT2AL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL27078358 0.72 ALOX5 (0.47) L3MBTL1BCHETSHRALDH1A1
SCHEMBL21306338 0.72 MEN1 (0.56) MEN1KMT2ATAS2R14L3MBTL1CRHBP
SCHEMBL1845830 0.72 MEN1 (0.52) MEN1KMT2ATAS2R14L3MBTL1CRHBP
SCHEMBL30803699 0.72 ALDH1A1 (0.44) KMT2AL3MBTL1NPC1RAB9ATSHR
SCHEMBL8899616 0.71 ALDH1A1 (0.44) MEN1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL7450385 0.70 KMT2A (0.66) MEN1KMT2AL3MBTL1CRHBPCRHR2
SCHEMBL11329375 0.70 ACHE (0.55) MEN1KMT2AL3MBTL1CRHBPCRHR2

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
WO-2010111353-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed