SCHEMBL31345962

SCHEMBL31345962

FC(F)(F)c1ccc2c(c1)CC(c1cccc(-c3ccccn3)c1)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.40
MAOB P27338 2/20 0.40
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP8 Q14790 1/20 0.39
TGFBR1 P36897 1/20 0.39
FFAR1 O14842 2/20 0.38
SCN9A Q15858 6/20 0.38
SCN5A Q14524 1/20 0.38
CBFB Q13951 1/20 0.37
MAOA P21397 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 1/20 0.34
TEAD1 P28347 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 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
SCHEMBL31345981 1.00 KDM1A (0.40) KDM1AMAOBCASP3CASP7CASP8
SCHEMBL31346068 0.83 MRGPRX4 (0.45) KDM1AMAOBCASP3CASP7CASP8
SCHEMBL31346072 0.77 FFAR1 (0.40) KDM1AMAOBFFAR1MAOATEAD1
SCHEMBL31346009 0.77 FFAR1 (0.37) KDM1AMAOBCASP3CASP7CASP8
SCHEMBL31345963 0.77 TEAD1 (0.42) KDM1AFFAR1NPC1RAB9ATEAD1
SCHEMBL31346002 0.77 TEAD1 (0.42) KDM1AFFAR1NPC1RAB9ATEAD1
SCHEMBL31346056 0.76 TEAD1 (0.34) CASP3CASP7CASP8SCN9ATEAD1
SCHEMBL31345978 0.75 CFTR (0.49) FFAR1
SCHEMBL31346099 0.75 CFTR (0.49) FFAR1
SCHEMBL31346045 0.75 TEAD1 (0.37) TEAD1

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-4712967-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST Enveda Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024239000-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST ENVEDA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed