SCHEMBL13614456

SCHEMBL13614456

CC(CN)C1Oc2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.39
CA2 P00918 5/20 0.35
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTR2A P28223 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LTA4H P09960 1/20 0.33
AOC3 Q16853 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL30064473 0.84 HRH1 (0.38) TAAR1CA2MAPTNPSR1HTR2A
SCHEMBL11001435 0.81 LTA4H (0.37) CA2MAPTNPSR1LMNASMN1; SMN2
SCHEMBL692925 0.75 LTA4H (0.37) CA2MAPTNPSR1LMNASMN1; SMN2
SCHEMBL11695994 0.75 HPGD (0.36) MAPT
SCHEMBL28943133 0.74 CYP2D6 (0.39) TAAR1CA2MAPTNPSR1HTR2A
SCHEMBL30515258 0.73 HTR2A (0.44) TAAR1MAPTNPSR1HTR2ALMNA
SCHEMBL6159693 0.71 P2RX4 (0.36) MAPTNPSR1LMNASMN1; SMN2LTA4H
SCHEMBL3928537 0.71 P2RX4 (0.36) MAPTNPSR1LMNASMN1; SMN2LTA4H
SCHEMBL8038103 0.71 AOC2 (0.43) MAPTNPSR1LMNASMN1; SMN2
SCHEMBL13752382 0.67 CA2 (0.43) TAAR1CA2MAPTNPSR1LMNA

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
EP-1973540-B1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2009-11-11 EP disclosed
WO-2009120189-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF ANXIETY JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-01 WO disclosed