SCHEMBL8133111

SCHEMBL8133111

CON=C1C(=O)Nc2c1cc(-c1ccc(S(=O)(=O)N(C)C)cc1)c1c2CN(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.42
P2RX3 P56373 1/20 0.35
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
AXL P30530 2/20 0.32
MERTK Q12866 2/20 0.32
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
LMNA P02545 2/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
PTK2 Q05397 1/20 0.31
MEN1 O00255 1/20 0.30
RGS12 O14924 1/20 0.30

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
SCHEMBL8140548 0.90 HTR6 (0.40) HTR6P2RX3GRIA1GRIA2GRIA3
SCHEMBL4393716 0.89 HTR6 (0.43) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL8133241 0.89 HTR6 (0.43) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL4401527 0.89 HTR6 (0.43) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL6607562 0.89 HTR6 (0.39) HTR6P2RX3GRIA1GRIA2GRIA3
SCHEMBL6607933 0.87 HTR6 (0.38) HTR6P2RX3GRIA1GRIA2GRIA3
SCHEMBL6607625 0.86 HTR6 (0.37) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL6608854 0.86 HTR6 (0.37) HTR6P2RX3GRIA1GRIA2GRIA3
Hydrochloric Acid SCHEMBL6607627 0.86 HTR6 (0.37) HTR6P2RX3GRIA1GRIA2GRIA3
SCHEMBL30259939 0.86 HTR6 (0.47) HTR6P2RX3GRIA1GRIA2GRIA3

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
EP-0781285-B1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE AS GLUTAMATE ANTAGONISTS NEUROSEARCH AS (DK) 2000-01-12 EP claimed
EP-0781285-B1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE AS GLUTAMATE ANTAGONISTS NEUROSEARCH AS (DK) 2000-01-12 EP disclosed
US-5801174-A CEREBROVASCULAR DISORDERS NEUROSEARCH A/S (DK) 1998-09-01 US disclosed