Sugi Predict

Sugi Predict / Compounds / SCHEMBL4721691

SCHEMBL4721691

SCHEMBL4721691

COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3CCO)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 10/20 0.38
▸ F2 P00734 4/20 0.38
▸ P2RX7 Q99572 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ PDE7A Q13946 1/20 0.32
▸ PDE3B Q13370 2/20 0.32
▸ PDE3A Q14432 2/20 0.32
▸ ITGB2 P05107 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ ITGAL P20701 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
SCHEMBL4724293 1.00 F10 (0.38) F10F2P2RX7ROCK2PDE7A
SCHEMBL4721689 1.00 F10 (0.38) F10F2P2RX7ROCK2PDE7A
SCHEMBL4723300 0.96 F10 (0.37) F10F2P2RX7ROCK2PDE7A
SCHEMBL4723307 0.96 F10 (0.37) F10F2P2RX7ROCK2PDE7A
SCHEMBL4719066 0.96 F10 (0.36) F10F2P2RX7ROCK2PDE7A
SCHEMBL4719068 0.96 F10 (0.36) F10F2P2RX7ROCK2PDE7A
SCHEMBL4721664 0.95 F10 (0.35) F10F2
SCHEMBL4719795 0.94 F10 (0.37) F10F2P2RX7ROCK2
SCHEMBL4719800 0.94 F10 (0.37) F10F2P2RX7ROCK2
SCHEMBL4719597 0.94 F10 (0.36) F10F2P2RX7ROCK2PDE7A

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