SCHEMBL5686277

SCHEMBL5686277

NC(=O)c1cnc(Nc2ccc(OC[C@H]3CCCN3)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.49
CHRNA3 P32297 4/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA1 P02708 1/20 0.48
CHRNG P07510 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
CHRND Q07001 1/20 0.48

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
SCHEMBL5686204 1.00 LTA4H (0.49) LTA4HCHRNA3CHRNB4CHRNA1CHRNG
SCHEMBL4497884 0.84 MAP2K1 (0.50) CHRNA3CHRNB4CHRNA1CHRNGCHRNB1
SCHEMBL4498763 0.84 MAP2K1 (0.50) CHRNA3CHRNB4CHRNA1CHRNGCHRNB1
SCHEMBL4492858 0.83 CHRNB4 (0.53) CHRNA3CHRNB4CHRNB2CHRNA4
SCHEMBL4310605 0.75 LTA4H (0.72) LTA4HCHRNA3CHRNB4CHRNA1CHRNG
SCHEMBL4310599 0.75 LTA4H (0.72) LTA4HCHRNA3CHRNB4CHRNA1CHRNG
SCHEMBL8551635 0.75 CHRNB4 (0.67) CHRNA3CHRNB4CHRNA1CHRNGCHRNB1
SCHEMBL5155735 0.73 LTA4H (0.62) LTA4HCHRNA3
SCHEMBL5155727 0.73 LTA4H (0.62) LTA4HCHRNA3
SCHEMBL30344019 0.73 CHRNB4 (0.66) LTA4HCHRNA3CHRNB4

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-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed