SCHEMBL4564040

SCHEMBL4564040

CC1CCc2cc(N)ccc2CN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
GRIN2B Q13224 1/20 0.40
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ATAD2 Q6PL18 2/20 0.33
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B3 P37058 1/20 0.33

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
SCHEMBL21505471 0.79 HTR1D (0.43) PNMTADRA2AADRA2BADRA2CNPC1
SCHEMBL6211310 0.79 OPRK1 (0.49) DRD2DRD1
SCHEMBL29051816 0.79 PNMT (0.44) PNMTADRA2AADRA2BADRA2CGRIN2B
SCHEMBL7516995 0.79 PNMT (0.64) PNMTADRA2AADRA2BADRA2CKDM4E
SCHEMBL17797701 0.78 GRIN2B (0.39) GRIN2BKDM4EMAPTCA9GAA
SCHEMBL24073959 0.76 GRIN2B (0.49) GRIN2BKDM4EMAPTCA9MEN1
SCHEMBL21447794 0.76 PNMT (0.43) PNMT
SCHEMBL3118450 0.75 KDM4E (0.47) GRIN2BKDM4EMAPTCA9MEN1
SCHEMBL9394761 0.74 AR (0.40) GRIN2BKDM4EMAPTCA9MEN1
SCHEMBL15431043 0.73 GRIN2B (0.43) GRIN2BKDM4EMAPTATAD2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549639-A1 SULPHONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP claimed
WO-2004031181-A1 SULFONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2004-04-15 WO claimed
EP-2114909-A2 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008080891-A2 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-10 WO disclosed