SCHEMBL31284575

SCHEMBL31284575

COC(=O)c1c(Br)ccc(C2CCN(c3ccc(N)c(Cl)c3)C2)c1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 8/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ ACACB O00763 3/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ OXTR P30559 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ HTR4 Q13639 1/20 0.33

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
SCHEMBL31284883 1.00 NOTUM (0.36) NOTUMTMEM97SIGMAR1ACACBMALT1
SCHEMBL31284457 0.92 NOTUM (0.45) NOTUMACACBMALT1MAPTSMN1; SMN2
SCHEMBL31283914 0.86 SIRT6 (0.41) NOTUMACACBMAPTSMN1; SMN2ALDH1A1
SCHEMBL31284595 0.82 NOTUM (0.46) NOTUMTMEM97SIGMAR1ACACBMALT1
SCHEMBL31285341 0.81 NOTUM (0.46) NOTUMACACBMALT1TP53MAPT
SCHEMBL31285385 0.81 NOTUM (0.46) NOTUMACACBMALT1TP53MAPT
SCHEMBL31284447 0.80 NOTUM (0.45) NOTUMACACBTP53MAPTSMN1; SMN2
SCHEMBL31285325 0.80 NOTUM (0.45) NOTUMACACBTP53MAPTSMN1; SMN2
SCHEMBL31284970 0.79 NOTUM (0.51) NOTUMTMEM97SIGMAR1MALT1MAPT
SCHEMBL31283935 0.79 NOTUM (0.44) NOTUMTMEM97SIGMAR1ACACBMAPT

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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