SCHEMBL9744135

SCHEMBL9744135

COCc1c(N(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 19/20 0.78
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
SCHEMBL9743393 0.95 GCGR (0.78) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9743997 0.90 GCGR (0.69) GCGR
SCHEMBL6953288 0.88 GCGR (1.00) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8953434 0.83 GCGR (0.81) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9745854 0.83 GCGR (0.56) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9745542 0.82 GCGR (0.52) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL7720729 0.81 GCGR (0.86) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL8949822 0.81 GCGR (0.88) GCGR
SCHEMBL9743369 0.81 GCGR (0.56) GCGR
SCHEMBL9744532 0.80 GCGR (0.63) 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