SCHEMBL31284457

SCHEMBL31284457

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 9/20 0.45
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RAB9A P51151 1/20 0.40
▸ DRD3 P35462 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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 0.92 NOTUM (0.36) NOTUMMAPTSMN1; SMN2RAB9ANPY5R
SCHEMBL31284575 0.92 NOTUM (0.36) NOTUMMAPTSMN1; SMN2RAB9ANPY5R
SCHEMBL31284595 0.90 NOTUM (0.46) NOTUMMAPTSMN1; SMN2RAB9ANPY5R
SCHEMBL31285385 0.89 NOTUM (0.46) NOTUMMAPTSMN1; SMN2RAB9ANPY5R
SCHEMBL31285341 0.89 NOTUM (0.46) NOTUMMAPTSMN1; SMN2RAB9ANPY5R
SCHEMBL31283914 0.88 SIRT6 (0.41) NOTUMMAPTSMN1; SMN2ALDH1A1ACACB
SCHEMBL31285325 0.88 NOTUM (0.45) NOTUMMAPTSMN1; SMN2RAB9ANPY5R
SCHEMBL31284447 0.88 NOTUM (0.45) NOTUMMAPTSMN1; SMN2RAB9ANPY5R
SCHEMBL31284970 0.88 NOTUM (0.51) NOTUMMAPTSMN1; SMN2DPP4MALT1
SCHEMBL31283935 0.87 NOTUM (0.44) NOTUMMAPTSMN1; SMN2RAB9ANPY5R

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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