SCHEMBL9745394

SCHEMBL9745394

COCc1c(N)nc(C(C)C)c(C(=O)OC)c1-c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.69
ESR1 P03372 1/20 0.45
HMGCR P04035 1/20 0.45
CHRM1 P11229 1/20 0.45
TBXA2R P21731 1/20 0.45
PDE4A P27815 1/20 0.45
ADRA1A P35348 1/20 0.45
LMNA P02545 1/20 0.43
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
IKBKB O14920 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 0.90 GCGR (0.85) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL5101684 0.85 GCGR (0.70) GCGRLMNA
SCHEMBL14189850 0.84 GCGR (0.64) GCGRLMNAIKBKB
SCHEMBL9851014 0.83 GCGR (0.81) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL5098445 0.83 GCGR (0.63) GCGR
SCHEMBL6565362 0.82 GCGR (0.79) GCGRLMNA
SCHEMBL2647513 0.81 GCGR (1.00) GCGR
SCHEMBL3192181 0.81 GCGR (0.61) GCGRLMNACACNA1FCACNA1DCACNA1S
SCHEMBL5095278 0.81 GCGR (0.60) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL2648836 0.81 GCGR (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145857-A HMG-COA REDUCTASE-INHIBITING SUBSTITUTED AMINO-PYRIDINES BAYER AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed
EP-0416383-A2 Substituted aminopyridines BAYER AG (DE) 1991-03-13 EP disclosed