SCHEMBL9689998

SCHEMBL9689998

CC(C)c1nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c(-c2ccc(F)cc2)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 19/20 0.50
ESR1 P03372 1/20 0.46
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
PDE4A P27815 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL6954644 0.90 ESR1 (0.48) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL15329710 0.90 ESR1 (0.48) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6641289 0.86 HMGCR (0.39) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9481908 0.85 GCGR (0.47) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9481915 0.85 GCGR (0.47) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9482325 0.85 GCGR (0.46) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL7077308 0.84 GCGR (0.67) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL2647866 0.84 GCGR (0.50) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL2648300 0.83 GCGR (0.70) GCGR
SCHEMBL2649263 0.83 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
CN-1274719-A Process for preparation of substituted pyridine compound BAYER AG (DE) 2000-11-29 CN disclosed
CN-1055684-C Process for preparing substituted pyridine compounds BAYER AG (DE) 2000-08-23 CN disclosed
US-5169857-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
CN-1034364-A Substituted pyridines and process for their preparation BAYER AG (DE) 1989-08-02 CN disclosed