SCHEMBL31283935

SCHEMBL31283935

CCc1ccc(C2CCN(c3ccc(Cl)c(Cl)c3)C2)c(F)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.44
▸ MAPT P10636 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ ACACB O00763 2/20 0.39
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ NPY5R Q15761 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 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
SCHEMBL31284595 0.89 NOTUM (0.46) NOTUMMAPTSMN1; SMN2RAB9AHTT
SCHEMBL31285501 0.89 NOTUM (0.49) NOTUMMAPTSMN1; SMN2RAB9AHTT
SCHEMBL31285385 0.88 NOTUM (0.46) NOTUMMAPTSMN1; SMN2RAB9AHTT
SCHEMBL31285341 0.88 NOTUM (0.46) NOTUMMAPTSMN1; SMN2RAB9AHTT
SCHEMBL31285325 0.87 NOTUM (0.45) NOTUMMAPTSMN1; SMN2RAB9AHTT
SCHEMBL31284447 0.87 NOTUM (0.45) NOTUMMAPTSMN1; SMN2RAB9AHTT
SCHEMBL31284457 0.87 NOTUM (0.45) NOTUMMAPTSMN1; SMN2RAB9AHTT
SCHEMBL31284466 0.84 SIRT6 (0.42) NOTUMMAPTSMN1; SMN2RAB9AMAPK1
SCHEMBL31284530 0.83 NOTUM (0.46) NOTUMMAPTSMN1; SMN2RAB9AHTT
SCHEMBL31285035 0.83 NOTUM (0.46) NOTUMMAPTSMN1; SMN2RAB9AHTT

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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