SCHEMBL9851014

SCHEMBL9851014

COC(=O)c1c(N)nc(C(C)C)c(CO)c1-c1ccc(F)cc1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.81
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
PDE4A P27815 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL9221722 0.93 GCGR (0.85) GCGRLMNAESR1HMGCRCHRM1
SCHEMBL2647513 0.90 GCGR (1.00) GCGR
SCHEMBL8177588 0.87 GCGR (0.87) GCGRLMNA
SCHEMBL5101684 0.84 GCGR (0.70) GCGRLMNA
SCHEMBL5098380 0.84 GCGR (0.84) GCGRLMNAESR1HMGCRCHRM1
SCHEMBL9745394 0.83 GCGR (0.69) GCGRLMNAESR1HMGCRCHRM1
SCHEMBL3192181 0.82 GCGR (0.61) GCGRLMNA
SCHEMBL14189850 0.80 GCGR (0.64) GCGRLMNA
SCHEMBL5098445 0.79 GCGR (0.63) GCGR
SCHEMBL2647230 0.79 GCGR (0.80) GCGRESR1HMGCRCHRM1TBXA2R

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-0416383-A2 Substituted aminopyridines BAYER AG (DE) 1991-03-13 EP disclosed