SCHEMBL3524286

SCHEMBL3524286

COCCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(C(F)(F)F)cc3)cn2CC1O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
SLC22A2 O15244 3/20 0.40

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
SCHEMBL2186878 0.92 MEN1 (0.39) SLC22A2
SCHEMBL3523992 0.91 SLC22A2 (0.47) SLC22A2
SCHEMBL2186850 0.90 ELANE (0.45) ELANE
SCHEMBL2186243 0.90 PDE2A (0.43) SLC22A2
SCHEMBL2186951 0.90 SLC22A2 (0.41) SLC22A2
SCHEMBL3528016 0.89 ALDH1A1 (0.43)
SCHEMBL2185146 0.88 P2RX7 (0.47) SLC22A2
SCHEMBL3529420 0.86 SLC22A2 (0.46) SLC22A2
SCHEMBL2186862 0.85 SLC22A2 (0.46) SLC22A2
SCHEMBL3528388 0.85 P2RX7 (0.50) SLC22A2

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-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
EP-1852434-A1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY Shionogi Co., Ltd. (JP) 2007-11-07 EP disclosed