SCHEMBL9744972

SCHEMBL9744972

CC(C)c1nc(N(C)C)c(C=O)c(-c2ccc(F)cc2)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 17/20 0.47
MAPK10 P53779 1/20 0.36
MAPK14 Q16539 1/20 0.36
ESR1 P03372 1/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
PDE4A P27815 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL8949603 0.87 GCGR (0.58) GCGRMAPK10MAPK14
SCHEMBL9744058 0.85 GCGR (0.43) GCGRMAPK10MAPK14ESR1HMGCR
SCHEMBL9744437 0.83 GCGR (0.58) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9745542 0.83 GCGR (0.52) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8949673 0.82 GCGR (0.50) GCGRMAPK10MAPK14ESR1HMGCR
SCHEMBL14097269 0.81 GCGR (0.49) GCGRMAPK10MAPK14ESR1HMGCR
SCHEMBL10129258 0.76 HMGCR (0.47) GCGRHMGCR
SCHEMBL9482986 0.75 GCGR (0.47) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9482981 0.75 GCGR (0.47) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9698112 0.75 GCGR (0.44) GCGRMAPK10MAPK14

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