SCHEMBL31285325

SCHEMBL31285325

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.45
▸ MAPT P10636 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RAB9A P51151 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ ACACB O00763 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ GHSR Q92847 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ DPP4 P27487 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
SCHEMBL31284447 1.00 NOTUM (0.45) NOTUMMAPTSMN1; SMN2RAB9ATP53
SCHEMBL31284493 0.91 NOTUM (0.48) NOTUMMAPTSMN1; SMN2RAB9AACACB
SCHEMBL31284595 0.90 NOTUM (0.46) NOTUMMAPTSMN1; SMN2RAB9ATP53
SCHEMBL31285341 0.89 NOTUM (0.46) NOTUMMAPTSMN1; SMN2RAB9ATP53
SCHEMBL31285385 0.89 NOTUM (0.46) NOTUMMAPTSMN1; SMN2RAB9ATP53
SCHEMBL31284457 0.88 NOTUM (0.45) NOTUMMAPTSMN1; SMN2RAB9AACACB
SCHEMBL31283935 0.87 NOTUM (0.44) NOTUMMAPTSMN1; SMN2RAB9AACACB
SCHEMBL31284466 0.85 SIRT6 (0.42) NOTUMMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL31285035 0.84 NOTUM (0.46) NOTUMMAPTSMN1; SMN2RAB9AACACB
SCHEMBL31284530 0.84 NOTUM (0.46) NOTUMMAPTSMN1; SMN2RAB9AACACB

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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