SCHEMBL6686286

SCHEMBL6686286

NC(=O)C(c1cccc2nc(NCCCNCc3ccccc3O)ccc12)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.43
EPHX2 P34913 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6694983 0.92 P2RX7 (0.43) P2RX7MEN1KMT2A
SCHEMBL6658009 0.91 P2RX7 (0.42) P2RX7EPHX2MEN1KMT2AKDM4E
SCHEMBL6651560 0.85 P2RX7 (0.43) P2RX7MEN1KMT2A
SCHEMBL6653472 0.85 P2RX7 (0.45) P2RX7EPHX2KDM4E
SCHEMBL6655499 0.84 P2RX7 (0.42) P2RX7EPHX2KDM4ETSHRHSD17B10
SCHEMBL6653481 0.82 P2RX7 (0.45) P2RX7
SCHEMBL6647801 0.82 P2RX7 (0.52) P2RX7EPHX2
Hydrochloric Acid SCHEMBL6674326 0.81 P2RX7 (0.60) P2RX7KDM4E
SCHEMBL6651900 0.80 P2RX7 (0.47) P2RX7EPHX2KDM4E
SCHEMBL6655639 0.79 P2RX7 (0.45) P2RX7

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-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP claimed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO claimed