SCHEMBL31284923

SCHEMBL31284923

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 17/20 0.59
▸ MALT1 Q9UDY8 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ RBP4 P02753 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL31285317 0.92 NOTUM (0.59) NOTUM
SCHEMBL31284413 0.89 NOTUM (0.53) NOTUMMALT1MRGPRX4
SCHEMBL31284548 0.88 MALT1 (0.48) NOTUMMALT1MRGPRX4
SCHEMBL31284469 0.86 NOTUM (0.47) NOTUMMALT1RBP4CYP2D6CYP2C19
SCHEMBL31284277 0.86 MALT1 (0.45) NOTUMMALT1MRGPRX4
SCHEMBL31285356 0.85 MALT1 (0.46) NOTUMMALT1MRGPRX4
SCHEMBL31284720 0.84 NOTUM (0.55) NOTUMMALT1MRGPRX4
SCHEMBL31284503 0.83 NOTUM (0.60) NOTUMRBP4
SCHEMBL31284702 0.83 NOTUM (0.48) NOTUMMALT1MRGPRX4
SCHEMBL31284505 0.83 MALT1 (0.52) NOTUMMALT1MRGPRX4

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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