SCHEMBL9728453

SCHEMBL9728453

CC(C)c1nc2c(ccn2C)c(-c2ccc(F)cc2)c1C=CC=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.40
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
PARP1 P09874 1/20 0.33

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
SCHEMBL9698248 1.00 GCGR (0.40) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8949683 0.82 GCGR (0.53) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9791377 0.80 GCGR (0.40) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9524367 0.80 GCGR (0.40) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL7791791 0.79 GCGR (0.40) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8949786 0.78 GCGR (0.47) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9380517 0.78 RXRA (0.47) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9727600 0.76 GCGR (0.41) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9698874 0.76 GCGR (0.41) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9736133 0.76 GCGR (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120782-A Treatment of hyperlipoproteinaemia, lipoproteinaemia and arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed