SCHEMBL7978426

SCHEMBL7978426

CCC(Oc1ccc(-c2ccc(F)c(S(N)(=O)=O)c2)cc1)C(O)CCc1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
ADAMTS4 O75173 2/20 0.37
PTAFR P25105 3/20 0.36
HSD17B1 P14061 2/20 0.35
GRM2 Q14416 4/20 0.35
PSMB5 P28074 2/20 0.34
NAMPT P43490 1/20 0.33
S1PR3 Q99500 1/20 0.33
F10 P00742 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
SCHEMBL7978428 1.00 CYP3A4 (0.38) CYP3A4ADAMTS4PTAFRHSD17B1GRM2
SCHEMBL7983302 0.89 CYP3A4 (0.39) CYP3A4ADAMTS4PTAFRHSD17B1GRM2
SCHEMBL7979929 0.89 CYP3A4 (0.39) CYP3A4ADAMTS4PTAFRHSD17B1GRM2
SCHEMBL7979925 0.89 CYP3A4 (0.39) CYP3A4ADAMTS4PTAFRHSD17B1GRM2
SCHEMBL7966683 0.82 KCNJ1 (0.37) CYP3A4PTAFR
SCHEMBL7966680 0.82 KCNJ1 (0.37) CYP3A4PTAFR
SCHEMBL7976666 0.82 CYP3A4 (0.39) CYP3A4ADAMTS4PTAFRGRM2NAMPT
SCHEMBL7976671 0.82 CYP3A4 (0.39) CYP3A4ADAMTS4PTAFRGRM2NAMPT
SCHEMBL7979810 0.79 HTT (0.39) ADAMTS4PTAFRPSMB5NAMPT
SCHEMBL7979812 0.79 HTT (0.39) ADAMTS4PTAFRPSMB5NAMPT

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-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US claimed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP claimed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO claimed
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed