SCHEMBL2228334

SCHEMBL2228334

CC(C)(C)COc1ccccc1CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NUDT1 P36639 1/20 0.36
SSTR4 P31391 2/20 0.35
DRD2 P14416 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DRD1 P21728 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
ATM Q13315 1/20 0.35
PLEC Q15149 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DRD3 P35462 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL18997033 0.82 L3MBTL1 (0.56) RIPK1L3MBTL1MAPTNPSR1SSTR4
SCHEMBL2881707 0.82 RIPK1 (0.36) RIPK1L3MBTL1MAPTNPSR1SSTR4
SCHEMBL13449767 0.81 KDM4E (0.41) RIPK1L3MBTL1MAPTNPSR1NUDT1
SCHEMBL14486495 0.81 SLC6A2 (0.45) L3MBTL1MAPTNPSR1MEN1KMT2A
SCHEMBL12251017 0.81 RIPK1 (0.44) RIPK1L3MBTL1MAPTNPSR1SSTR4
SCHEMBL13050344 0.78 HRH1 (0.57) L3MBTL1DRD2DRD1DRD3HTR1A
SCHEMBL29819624 0.78 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1MEN1KMT2A
SCHEMBL561755 0.78 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1MEN1KMT2A
SCHEMBL2903189 0.76 L3MBTL1 (0.58) L3MBTL1MAPTNPSR1MEN1KMT2A
SCHEMBL2229365 0.76 HTR7 (0.52) L3MBTL1MAPTSSTR4MEN1KMT2A

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
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 WO disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed