SCHEMBL31346013

SCHEMBL31346013

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
LDHA P00338 1/20 0.41
DRD2 P14416 5/20 0.36
DRD3 P35462 5/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
RIPK1 Q13546 1/20 0.35
FFAR1 O14842 1/20 0.34
FADS1 O60427 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAOB P27338 2/20 0.32
PNMT P11086 1/20 0.32
AR P10275 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
SCHEMBL31346011 0.81 FFAR1 (0.36) CYP19A1SIRT2FFAR1NPC1RAB9A
SCHEMBL31345995 0.81 CYP19A1 (0.45) CYP19A1LDHADRD2DRD3SIRT2
SCHEMBL31346117 0.81 CYP19A1 (0.45) CYP19A1LDHADRD2DRD3SIRT2
SCHEMBL31346093 0.80 CYP19A1 (0.46) CYP19A1LDHADRD2DRD3FADS1
SCHEMBL31346020 0.77 LDHA (0.49) CYP19A1LDHADRD2DRD3SIRT2
SCHEMBL31346146 0.76 LDHA (0.46) CYP19A1LDHADRD2DRD3SIRT2
SCHEMBL31346053 0.76 CYP19A1 (0.42) CYP19A1LDHADRD2DRD3SIRT2
SCHEMBL31346143 0.76 LDHA (0.46) CYP19A1LDHADRD2DRD3SIRT2
SCHEMBL31346021 0.73 CYP19A1 (0.42) CYP19A1LDHADRD2DRD3FFAR1
SCHEMBL31346031 0.73 LDHA (0.46) CYP19A1LDHADRD2DRD3SIRT2

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