SCHEMBL4445907

SCHEMBL4445907

O=C1OC(CNCc2ccccc2)C(c2cccc(F)c2)N1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.35
GFER P55789 1/20 0.35
POLB P06746 1/20 0.35
TNKS O95271 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL3593660 1.00 PAX8 (0.35) PAX8GFERPOLBTNKSMEN1
SCHEMBL13185877 0.89 GFER (0.36) GFERPOLBTNKSMEN1KMT2A
SCHEMBL3599584 0.83 MAPK14 (0.37) PAX8GFERMEN1KMT2A
SCHEMBL3591176 0.77 KCNN4 (0.36)
SCHEMBL3592352 0.77 ALDH1A1 (0.36) GFERMEN1KMT2A
SCHEMBL3593757 0.75 KDM4E (0.39) POLB
SCHEMBL3589557 0.73 GRM5 (0.40) GFERPOLBKMT2A
SCHEMBL3585606 0.72 HTR1A (0.38) GFERPOLBMEN1KMT2A
SCHEMBL14161702 0.71 GFER (0.34) GFERMEN1KMT2A
SCHEMBL13168227 0.71 LMNA (0.34) MEN1KMT2A

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-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed