SCHEMBL4720852

SCHEMBL4720852

CCC(=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 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.36
F2 P00734 2/20 0.36
P2RX7 Q99572 1/20 0.35
CXCR3 P49682 5/20 0.33
EPHX2 P34913 1/20 0.33
CCR1 P32246 2/20 0.32
ABL1 P00519 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
SCHEMBL4720844 1.00 F10 (0.36) F10F2P2RX7CXCR3EPHX2
SCHEMBL4721640 0.94 F10 (0.37) F10F2P2RX7CXCR3ABL1
SCHEMBL4721646 0.94 F10 (0.37) F10F2P2RX7CXCR3ABL1
SCHEMBL4719094 0.94 F10 (0.36) F10F2P2RX7CXCR3ABL1
SCHEMBL4719096 0.94 F10 (0.36) F10F2P2RX7CXCR3ABL1
SCHEMBL4718554 0.92 P2RX7 (0.36) F10F2P2RX7CXCR3ABL1
SCHEMBL4718551 0.92 P2RX7 (0.36) F10F2P2RX7CXCR3ABL1
SCHEMBL4721627 0.92 P2RX7 (0.36) F10F2P2RX7ABL1
SCHEMBL4766330 0.92 P2RX7 (0.36) F10F2P2RX7ABL1
SCHEMBL4721632 0.92 P2RX7 (0.36) F10F2P2RX7ABL1

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