SCHEMBL8230618

SCHEMBL8230618

CC(C)(N)C(=O)NCC1(N)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
OPRM1 P35372 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.32

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
SCHEMBL2839974 0.85 P2RX7 (0.35) P2RX7OPRM1SIGMAR1LMNA
SCHEMBL12335924 0.77 RIPK1 (0.39) P2RX7
SCHEMBL7591113 0.76 EPHX1 (0.43) P2RX7
SCHEMBL12070763 0.75 TSHR (0.40) P2RX7OPRM1LMNA
SCHEMBL4529410 0.75 P2RX7 (0.40) P2RX7LMNA
SCHEMBL15285632 0.74 HCRTR2 (0.42) P2RX7
SCHEMBL12308394 0.73 MMP8 (0.30)
SCHEMBL12335923 0.73 RIPK1 (0.41) LMNA
SCHEMBL16057260 0.72 P2RX7 (0.38) P2RX7LMNA
SCHEMBL29713169 0.70 HCRTR2 (0.42)

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
EP-2007789-B1 Spirocyclic HCV/HIV inhibitors and their uses NOVARTIS AG (CH) 2015-05-20 EP disclosed
WO-2007133865-A2 HCV/HIV INHIBITORS AN THEIR USES NOVARTIS AG (CH) 2007-11-22 WO disclosed