SCHEMBL31284602

SCHEMBL31284602

O=C(O)c1cccc(C2CCCN(c3ccc(Cl)c(Cl)c3)C2)c1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.49
▸ NOTUM Q6P988 10/20 0.48
▸ MALT1 Q9UDY8 1/20 0.42
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MYC P01106 1/20 0.36

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 0.94 NOTUM (0.53) MRGPRX4NOTUMMALT1SLC6A2SLC6A4
SCHEMBL31285029 0.88 MAPT (0.42) MRGPRX4NOTUMMALT1SLC6A2SLC6A4
SCHEMBL31284943 0.88 MAPT (0.42) MRGPRX4NOTUMMALT1SLC6A2SLC6A4
SCHEMBL31284548 0.86 MALT1 (0.48) MRGPRX4NOTUMMALT1ALDH1A1HTR6
SCHEMBL31285356 0.86 MALT1 (0.46) MRGPRX4NOTUMMALT1HTR6
SCHEMBL31284479 0.84 MALT1 (0.52) MRGPRX4NOTUMMALT1HTR6KCNH2
SCHEMBL31284277 0.84 MALT1 (0.45) MRGPRX4NOTUMMALT1ALDH1A1HTR6
SCHEMBL31284753 0.84 MALT1 (0.45) MRGPRX4NOTUMMALT1SLC6A2SLC6A4
SCHEMBL31284365 0.82 NOTUM (0.55) MRGPRX4NOTUMMALT1SLC6A2SLC6A4
SCHEMBL31284720 0.82 NOTUM (0.55) MRGPRX4NOTUMMALT1ALDH1A1HTT

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
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