SCHEMBL8808258

SCHEMBL8808258

CN1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1.CS(=O)(=O)O

nearest known ligand 0.85

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 6/20 0.58
GRIA2 P42262 6/20 0.58
GRIA3 P42263 6/20 0.58
GRIA4 P48058 6/20 0.58

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
SCHEMBL9202774 1.00 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6783780 0.92 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL6784471 0.91 GRIA1 (0.65) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6786031 0.87 GRIA1 (0.64) GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL8813106 0.86 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7959740 0.81 GRIA1 (0.87) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6785459 0.81 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6785960 0.80 GRIA1 (0.59) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8810839 0.79 GRIA1 (0.87) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7103867 0.78 GRIA1 (0.59) GRIA1GRIA2GRIA3GRIA4

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
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 EP claimed