SCHEMBL31346129

SCHEMBL31346129

N#Cc1cc(F)cc([C@@H]2Cc3cc(C(F)(F)F)ccc3O2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.35
EGLN1 Q9GZT9 1/20 0.33
KIF11 P52732 1/20 0.33
FFAR1 O14842 1/20 0.32
MAOB P27338 6/20 0.32
RORC P51449 1/20 0.32
FADS1 O60427 1/20 0.32
PNMT P11086 3/20 0.31
CYP19A1 P11511 1/20 0.31
CETP P11597 1/20 0.31
ELANE P08246 1/20 0.30
CYP3A4 P08684 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL31346114 0.93 KIF11 (0.36) EGLN1KIF11PNMTCYP19A1CETP
SCHEMBL31346109 0.87 ELANE (0.34) EGLN1KIF11MAOBELANECYP3A4
SCHEMBL31346005 0.87 ELANE (0.34) EGLN1KIF11MAOBELANECYP3A4
SCHEMBL31346117 0.84 CYP19A1 (0.45) KIF11FFAR1CYP19A1CETPELANE
SCHEMBL31345995 0.84 CYP19A1 (0.45) KIF11FFAR1CYP19A1CETPELANE
SCHEMBL31345991 0.84 ABCG2 (0.37) FFAR1MAOBCYP19A1CYP3A4
SCHEMBL31346029 0.82 CYP11B1 (0.40) EGLN1KIF11CYP3A4
SCHEMBL31346022 0.81 FFAR1 (0.39) FFAR1MAOBPNMT
SCHEMBL31346086 0.81 MRGPRX4 (0.34) EGLN1KIF11ELANEMRGPRX4
SCHEMBL31345984 0.76 PNMT (0.35) MAOBPNMT

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