SCHEMBL31284657

SCHEMBL31284657

CS(=O)(=O)NC(=O)c1cccc(C2CCN(c3ccc(Cl)c(Cl)c3)C2)c1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.43
▸ MALT1 Q9UDY8 1/20 0.42
▸ CCR2 P41597 1/20 0.42
▸ NPY5R Q15761 2/20 0.42
▸ SCN9A Q15858 9/20 0.41
▸ RBP4 P02753 1/20 0.41
▸ PTPRG P23470 1/20 0.40
▸ SCN7A Q01118 5/20 0.39
▸ SCN5A Q14524 4/20 0.38
▸ SCN1A P35498 1/20 0.38
▸ SCN4A P35499 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ SCN8A Q9UQD0 1/20 0.38
▸ HTR6 P50406 1/20 0.38

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
SCHEMBL31285035 0.84 NOTUM (0.46) NOTUMMALT1NPY5RHTR6
SCHEMBL31284530 0.84 NOTUM (0.46) NOTUMMALT1NPY5RHTR6
SCHEMBL31284413 0.84 NOTUM (0.53) NOTUMMALT1HTR6
SCHEMBL31284245 0.82 SCN9A (0.46) SCN9ARBP4SCN7ASCN5ASCN1A
SCHEMBL31285029 0.79 MAPT (0.42) NOTUMMALT1
SCHEMBL31284943 0.79 MAPT (0.42) NOTUMMALT1
SCHEMBL31284602 0.78 MRGPRX4 (0.49) NOTUMMALT1HTR6
SCHEMBL31284479 0.77 MALT1 (0.52) NOTUMMALT1HTR6
SCHEMBL31284548 0.77 MALT1 (0.48) NOTUMMALT1NPY5RHTR6
SCHEMBL31285356 0.77 MALT1 (0.46) NOTUMMALT1HTR6

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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