SCHEMBL31345995

SCHEMBL31345995

N#Cc1cccc(C2Cc3cc(C(F)(F)F)ccc3O2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
LDHA P00338 1/20 0.41
HTR1A P08908 1/20 0.39
CETP P11597 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
TEAD1 P28347 1/20 0.35
MPO P05164 1/20 0.35
FFAR1 O14842 3/20 0.35
ELANE P08246 1/20 0.35
CYP3A4 P08684 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
HTR2C P28335 2/20 0.35
KIF11 P52732 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
SCHEMBL31346117 1.00 CYP19A1 (0.45) CYP19A1LDHAHTR1ACETPMRGPRX4
SCHEMBL31346021 0.90 CYP19A1 (0.42) CYP19A1LDHAHTR1ACETPMRGPRX4
SCHEMBL31346114 0.89 KIF11 (0.36) CYP19A1CETPMRGPRX4ELANECYP3A4
SCHEMBL31346129 0.84 TRPM5 (0.35) CYP19A1CETPMRGPRX4FFAR1ELANE
SCHEMBL31346029 0.83 CYP11B1 (0.40) CYP3A4KIF11
SCHEMBL31346109 0.83 ELANE (0.34) MRGPRX4ELANECYP3A4KIF11
SCHEMBL31346005 0.83 ELANE (0.34) MRGPRX4ELANECYP3A4KIF11
SCHEMBL31345963 0.81 TEAD1 (0.42) CYP19A1HTR1ADRD3TEAD1FFAR1
SCHEMBL31346002 0.81 TEAD1 (0.42) CYP19A1HTR1ADRD3TEAD1FFAR1
SCHEMBL31346013 0.81 CYP19A1 (0.45) CYP19A1LDHADRD2DRD3FFAR1

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