SCHEMBL765641

SCHEMBL765641

Bc1ccc(Oc2ccc(CN)cc2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 3/20 0.46
MAOB P27338 5/20 0.43
FFAR1 O14842 2/20 0.37
NR3C1 P04150 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
RAB9A P51151 1/20 0.35
AR P10275 1/20 0.35
SCN9A Q15858 4/20 0.35

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
SCHEMBL12239032 0.82 ST14 (0.46) ST14MAOBFFAR1MAPTAR
SCHEMBL756590 0.82 L3MBTL1 (0.48) ST14MAOBL3MBTL1MAPTRAB9A
SCHEMBL12239027 0.82 ST14 (0.46) ST14MAOBNR3C1L3MBTL1LMNA
SCHEMBL10121117 0.79 L3MBTL1 (0.51) ST14MAOBL3MBTL1LMNAMAPT
SCHEMBL12238995 0.79 LOXL2 (0.46) ST14MAOBLOXLOXL2
SCHEMBL923193 0.78 MAOB (0.57) ST14MAOBFFAR1NR3C1LOX
SCHEMBL13904294 0.77 ST14 (0.50) ST14MAOBFFAR1
SCHEMBL12239033 0.77 SCN9A (0.42) ST14MAOBFFAR1ARSCN9A
Trifluoroacetic Acid SCHEMBL2545491 0.75 NR3C1 (0.43) ST14MAOBFFAR1NR3C1SCN9A
SCHEMBL12239037 0.75 LOXL2 (0.55) LMNAMAPTLOXL2ARSCN9A

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-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed