SCHEMBL31284753

SCHEMBL31284753

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.45
▸ NOTUM Q6P988 12/20 0.42
▸ MRGPRX4 Q96LA9 2/20 0.42
▸ HTR6 P50406 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL31284277 0.92 MALT1 (0.45) MALT1NOTUMMRGPRX4HTR6ALDH1A1
SCHEMBL31284413 0.90 NOTUM (0.53) MALT1NOTUMMRGPRX4HTR6SLC6A2
SCHEMBL31285356 0.89 MALT1 (0.46) MALT1NOTUMMRGPRX4HTR6TMEM97
SCHEMBL31284479 0.88 MALT1 (0.52) MALT1NOTUMMRGPRX4HTR6CTSB
SCHEMBL31284548 0.87 MALT1 (0.48) MALT1NOTUMMRGPRX4HTR6ALDH1A1
SCHEMBL31284720 0.86 NOTUM (0.55) MALT1NOTUMMRGPRX4HTR6ALDH1A1
SCHEMBL31285317 0.86 NOTUM (0.59) NOTUM
SCHEMBL31284425 0.85 NOTUM (0.42) MALT1NOTUMMRGPRX4ALDH1A1
SCHEMBL31284505 0.85 MALT1 (0.52) MALT1NOTUMMRGPRX4HTR6ALDH1A1
SCHEMBL31284680 0.85 NOTUM (0.41) MALT1NOTUMMRGPRX4ALDH1A1

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