Sugi Predict

Sugi Predict / Compounds / SCHEMBL8774417

SCHEMBL8774417

SCHEMBL8774417

CCC[C@H]1CC[C@H](CCc2ccc(-c3cc(F)c(F)nc3F)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.38
▸ MAOA P21397 4/20 0.38
▸ GPR84 Q9NQS5 1/20 0.36
▸ FFAR4 Q5NUL3 6/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ BRS3 P32247 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
SCHEMBL8774424 1.00 MAOB (0.38) MAOBMAOAGPR84FFAR4HRH3
SCHEMBL8774107 0.93 GPR84 (0.38) MAOBMAOAGPR84FFAR4HRH3
SCHEMBL8774103 0.93 GPR84 (0.38) MAOBMAOAGPR84FFAR4HRH3
SCHEMBL8774623 0.92 GPR84 (0.36) MAOBMAOAGPR84FFAR4BRS3
SCHEMBL8774619 0.92 GPR84 (0.36) MAOBMAOAGPR84FFAR4BRS3
SCHEMBL8774058 0.91 RARB (0.38) MAOBMAOAGPR84FFAR4HRH3
SCHEMBL8774053 0.91 RARB (0.38) MAOBMAOAGPR84FFAR4HRH3
SCHEMBL8775036 0.90 RARB (0.40) MAOBMAOAGPR84FFAR4RARB
SCHEMBL8775034 0.90 RARB (0.40) MAOBMAOAGPR84FFAR4RARB
SCHEMBL8775158 0.89 GPR84 (0.34) MAOBMAOAGPR84FFAR4HRH3

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-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 — — EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 — — EP disclosed