SCHEMBL8949905

SCHEMBL8949905

CCOC(=O)c1c(C(C)C)nc(C2CCCCC2)c(C(=O)OCCC#N)c1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.41
CACNB4 O00305 2/20 0.38
CACNA1A O00555 2/20 0.38
CACNA1G O43497 2/20 0.38
CACNG3 O60359 2/20 0.38
CACNA1F O60840 2/20 0.38
CACNA1H O95180 2/20 0.38
ACHE P22303 2/20 0.38
CACNB3 P54284 2/20 0.38
CACNA2D1 P54289 2/20 0.38
CACNG7 P62955 2/20 0.38
CACNA1B Q00975 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNB1 Q02641 2/20 0.38
CACNG1 Q06432 2/20 0.38
CACNB2 Q08289 2/20 0.38
CACNA1S Q13698 2/20 0.38
CACNA1C Q13936 2/20 0.38
CACNA1E Q15878 2/20 0.38
CACNA2D4 Q7Z3S7 2/20 0.38

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
SCHEMBL9273566 0.86 GCGR (0.50) GCGRCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL9267251 0.78 GCGR (0.53) GCGRCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL9271191 0.77 GCGR (0.60) GCGRSLC10A2MAPTKDM4EALDH1A1
SCHEMBL2648212 0.77 GCGR (0.62) GCGRSLC10A2MAPTMEN1KMT2A
SCHEMBL27295913 0.75 DHODH (0.46) GCGR
SCHEMBL2647009 0.74 GAA (0.42) GCGRCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL6957283 0.73 ALDH1A1 (0.50) GCGRCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL8949863 0.72 CACNA1F (0.39) CACNA1FACHECACNA1DCACNA1SCACNA1C
SCHEMBL9269790 0.72 GCGR (0.46) GCGRCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL9269784 0.71 GCGR (0.41) GCGRCACNB4CACNA1ACACNA1GCACNG3

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
US-5502057-A Polysubstituted pyridines useful for treating lipoproteinanaemia and arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-5470982-A Disubstituted pyridines BAYER AKTIENGESELLSCHAFT (DE) 1995-11-28 US disclosed
US-5173495-A 7-[(2,6-dialkyl-4-furyl or thienyl-pyridyl)]-3,5-di-(dihydroxy-6-enoates) useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1992-12-22 US disclosed
US-4968689-A Certain 2,6-diisopropyl-4-(4-fluoro-phenyl)-3,5-bis-dimethyl-3',5'-dihydroxy-hept-6-enoate-pyridine derivatives useful for treating lipoproteinaemia and arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed