SCHEMBL14127366

SCHEMBL14127366

O=C(CC1CCCCCC1)Nc1cn(CCC2COC2)c2cccc(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.47
IL1B P01584 6/20 0.47
EPHX2 P34913 3/20 0.46
NAMPT P43490 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL14127685 0.91 IL1B (0.48) P2RX7IL1BNPC1RAB9A
SCHEMBL14127550 0.91 P2RX7 (0.48) P2RX7IL1BEPHX2NAMPTNPC1
SCHEMBL14127453 0.88 RAB9A (0.43) P2RX7EPHX2NPC1RAB9AL3MBTL1
SCHEMBL177987 0.88 EPHX2 (0.46) P2RX7IL1BEPHX2NAMPTNPC1
SCHEMBL177798 0.88 EPHX2 (0.46) P2RX7IL1BEPHX2NAMPTNPC1
SCHEMBL14127435 0.86 EPHX2 (0.41) P2RX7IL1BEPHX2NAMPTNPC1
SCHEMBL14127526 0.86 EPHX2 (0.41) P2RX7IL1BEPHX2NAMPTNPC1
SCHEMBL14127555 0.85 P2RX7 (0.42) P2RX7IL1BEPHX2NAMPTNPC1
SCHEMBL12704324 0.85 EPHX2 (0.47) P2RX7IL1BEPHX2NAMPTNPC1
SCHEMBL14127508 0.85 P2RX7 (0.41) P2RX7IL1BEPHX2NAMPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012163456-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2012-12-06 WO claimed
WO-2012163456-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2012-12-06 WO disclosed
WO-2012163456-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2012-12-06 WO disclosed