SCHEMBL8544660

SCHEMBL8544660

Cc1cn(NCCCc2ccncc2F)c2ccc(N(C)C(=O)O)cc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.43
ACHE P22303 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.32
NPY5R Q15761 1/20 0.32
ORAI1 Q96D31 1/20 0.32
KDM4C Q9H3R0 4/20 0.31
HPGDS O60760 1/20 0.31
QPCT Q16769 1/20 0.30
TBXAS1 P24557 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
SCHEMBL8543079 0.89 BCHE (0.45) BCHEACHEPTGDR2KDM4CQPCT
SCHEMBL8543728 0.88 BCHE (0.43) BCHEACHEKDM4CQPCT
SCHEMBL8544184 0.87 BCHE (0.43) BCHEACHEPTGDR2KDM4CQPCT
SCHEMBL8539192 0.84 ORAI1 (0.33) BCHEACHEORAI1KDM4C
SCHEMBL7616001 0.83 BCHE (0.44) BCHEACHEPTGDR2HPGDS
SCHEMBL8541781 0.82 BCHE (0.37) BCHEACHEKDM4C
SCHEMBL8539757 0.80 ACHE (0.68) BCHEACHEPTGDR2HPGDS
SCHEMBL8543795 0.78 BCHE (0.64) BCHEACHE
SCHEMBL8543195 0.77 BCHE (0.61) BCHEACHE
SCHEMBL7620284 0.77 BCHE (0.43) BCHEACHE

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-0468401-B1 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-09-16 EP disclosed
EP-0468401-A2 1-(Substituted pyridinylamino)-1H-indol-5-yl substituted carbamates, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-29 EP disclosed