SCHEMBL7727796

SCHEMBL7727796

CN(CC(=O)OC(=O)[C@]1(NC(=O)OC(C)(C)C)CCCN1)C(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.31

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
SCHEMBL8135118 0.80 P2RX7 (0.31) P2RX7
SCHEMBL31741236 0.75
SCHEMBL8135439 0.71 NPFFR1 (0.33) P2RX7
SCHEMBL8150964 0.71 NPFFR1 (0.33) P2RX7
SCHEMBL3187773 0.70 HDAC6 (0.36)
SCHEMBL7023795 0.66 CA14 (0.39)
SCHEMBL1949583 0.65 CA12 (0.34)
SCHEMBL1689401 0.65 HDAC6 (0.37)
SCHEMBL19608874 0.65 FPR3 (0.32)
SCHEMBL11031055 0.65 SCN4A (0.33)

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-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed