SCHEMBL4720216

SCHEMBL4720216

CCCOC(=O)N1CCc2c(-c3cc(OC)cc(OC)c3)nn(-c3cc(N4CC[C@H](O)C4)ccc3C(F)(F)F)c(=O)c21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.35
F2 P00734 3/20 0.35
P2RX7 Q99572 1/20 0.33
DPP4 P27487 2/20 0.31
NOTUM Q6P988 1/20 0.31
RORC P51449 1/20 0.31
CXCR3 P49682 2/20 0.31
TSHR P16473 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL4720220 1.00 F10 (0.35) F10F2P2RX7DPP4NOTUM
SCHEMBL4718554 0.95 P2RX7 (0.36) F10F2P2RX7CXCR3TSHR
SCHEMBL4718551 0.95 P2RX7 (0.36) F10F2P2RX7CXCR3TSHR
SCHEMBL4723006 0.92 P2RX7 (0.35) F10F2P2RX7ABL1
SCHEMBL4723010 0.92 P2RX7 (0.35) F10F2P2RX7ABL1
SCHEMBL4720852 0.90 F10 (0.36) F10F2P2RX7CXCR3ABL1
SCHEMBL4720844 0.90 F10 (0.36) F10F2P2RX7CXCR3ABL1
SCHEMBL4766330 0.90 P2RX7 (0.36) F10F2P2RX7NOTUMRORC
SCHEMBL4721627 0.90 P2RX7 (0.36) F10F2P2RX7NOTUMABL1
SCHEMBL4721632 0.90 P2RX7 (0.36) F10F2P2RX7NOTUMABL1

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