SCHEMBL4718554

SCHEMBL4718554

CCOC(=O)N1CCc2c(-c3cc(OC)cc(OC)c3)nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
F10 P00742 8/20 0.36
F2 P00734 3/20 0.36
TSHR P16473 1/20 0.34
CACNA2D1 P54289 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
SOS1 Q07889 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CXCR3 P49682 2/20 0.32
SLC6A9 P48067 1/20 0.31
ABL1 P00519 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
SCHEMBL4718551 1.00 P2RX7 (0.36) P2RX7F10F2TSHRCACNA2D1
SCHEMBL4720216 0.95 F10 (0.35) P2RX7F10F2TSHRCXCR3
SCHEMBL4720220 0.95 F10 (0.35) P2RX7F10F2TSHRCXCR3
SCHEMBL4723010 0.94 P2RX7 (0.35) P2RX7F10F2SOS1ABL1
SCHEMBL4723006 0.94 P2RX7 (0.35) P2RX7F10F2SOS1ABL1
SCHEMBL4720852 0.92 F10 (0.36) P2RX7F10F2CXCR3ABL1
SCHEMBL4720844 0.92 F10 (0.36) P2RX7F10F2CXCR3ABL1
SCHEMBL4722181 0.92 P2RX7 (0.36) P2RX7CACNA2D1CACNA2D2SOS1CXCR3
SCHEMBL4722188 0.92 P2RX7 (0.36) P2RX7CACNA2D1CACNA2D2SOS1CXCR3
SCHEMBL4721627 0.92 P2RX7 (0.36) P2RX7F10F2ABL1

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed