SCHEMBL9481908

SCHEMBL9481908

CO/N=C/c1c(C(C)C)nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 19/20 0.47
ESR1 P03372 1/20 0.44
HMGCR P04035 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
PDE4A P27815 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL9481915 1.00 GCGR (0.47) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9482325 0.91 GCGR (0.46) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9482447 0.87 GCGR (0.42) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9689998 0.85 GCGR (0.50) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6954644 0.82 ESR1 (0.48) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL15329710 0.82 ESR1 (0.48) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9483362 0.82 GCGR (0.69) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9483365 0.82 GCGR (0.69) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL2648300 0.80 GCGR (0.70) GCGR
SCHEMBL2649263 0.80 GCGR (0.54) GCGR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3066668-A None JP disclosed
US-5183897-A Certain intermediate imino-substituted pyridines BAYER AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed
US-5064841-A HMG-COA reductase-inhibiting imino-substituted pyridines BAYER AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed
JP-H0366668-A IMINO-SUBSTITUTED PYRIDINES BAYER AG 1991-03-22 JP disclosed