SCHEMBL31284413

SCHEMBL31284413

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 11/20 0.53
▸ MALT1 Q9UDY8 1/20 0.47
▸ MRGPRX4 Q96LA9 2/20 0.46
▸ HTR6 P50406 1/20 0.43
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ HRH1 P35367 2/20 0.39
▸ CCR3 P51677 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 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
SCHEMBL31284602 0.94 MRGPRX4 (0.49) NOTUMMALT1MRGPRX4HTR6SLC6A2
SCHEMBL31284548 0.92 MALT1 (0.48) NOTUMMALT1MRGPRX4HTR6TMEM97
SCHEMBL31285356 0.92 MALT1 (0.46) NOTUMMALT1MRGPRX4HTR6TMEM97
SCHEMBL31284277 0.90 MALT1 (0.45) NOTUMMALT1MRGPRX4HTR6TMEM97
SCHEMBL31284479 0.90 MALT1 (0.52) NOTUMMALT1MRGPRX4HTR6KCNH2
SCHEMBL31284753 0.90 MALT1 (0.45) NOTUMMALT1MRGPRX4HTR6SLC6A2
SCHEMBL31284720 0.89 NOTUM (0.55) NOTUMMALT1MRGPRX4HTR6
SCHEMBL31284365 0.89 NOTUM (0.55) NOTUMMALT1MRGPRX4HTR6SLC6A2
SCHEMBL31284923 0.89 NOTUM (0.59) NOTUMMALT1MRGPRX4
SCHEMBL31284702 0.87 NOTUM (0.48) NOTUMMALT1MRGPRX4HTR6

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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