SCHEMBL31284548

SCHEMBL31284548

O=C(O)c1cccc(C2CCN(c3ccc(F)c(Cl)c3)C2)c1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 2/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ NOTUM Q6P988 9/20 0.44
▸ HTR6 P50406 1/20 0.42
▸ ACACB O00763 2/20 0.41
▸ NPY5R Q15761 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL31284413 0.92 NOTUM (0.53) MALT1TMEM97SIGMAR1MRGPRX4NOTUM
SCHEMBL31285356 0.91 MALT1 (0.46) MALT1TMEM97SIGMAR1MRGPRX4NOTUM
SCHEMBL31284720 0.90 NOTUM (0.55) MALT1MRGPRX4NOTUMHTR6ALDH1A1
SCHEMBL31284889 0.90 MALT1 (0.46) MALT1MRGPRX4NOTUMACACBNPY5R
SCHEMBL31284277 0.89 MALT1 (0.45) MALT1TMEM97SIGMAR1MRGPRX4NOTUM
SCHEMBL31284505 0.89 MALT1 (0.52) MALT1MRGPRX4NOTUMHTR6ALDH1A1
SCHEMBL31284702 0.89 NOTUM (0.48) MALT1MRGPRX4NOTUMHTR6ALDH1A1
SCHEMBL31284923 0.88 NOTUM (0.59) MALT1MRGPRX4NOTUM
SCHEMBL31284479 0.87 MALT1 (0.52) MALT1MRGPRX4NOTUMHTR6
SCHEMBL31284753 0.87 MALT1 (0.45) MALT1TMEM97SIGMAR1MRGPRX4NOTUM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176772-A Compound with Mrgpr X receptor inhibition effect and application thereof 博济医药科技股份有限公司 2024-12-24 — — CN disclosed
Send feedback