SCHEMBL31285035

SCHEMBL31285035

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.46
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MALT1 Q9UDY8 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38

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
SCHEMBL31284530 1.00 NOTUM (0.46) NOTUMMAPTSMN1; SMN2MALT1RAB9A
SCHEMBL31285029 0.94 MAPT (0.42) NOTUMMAPTSMN1; SMN2MALT1RAB9A
SCHEMBL31284943 0.94 MAPT (0.42) NOTUMMAPTSMN1; SMN2MALT1RAB9A
SCHEMBL31284413 0.87 NOTUM (0.53) NOTUMMALT1HTR6TMEM97SIGMAR1
SCHEMBL31284595 0.86 NOTUM (0.46) NOTUMMAPTSMN1; SMN2MALT1RAB9A
SCHEMBL31284297 0.85 NOTUM (0.48) NOTUMMAPTSMN1; SMN2MALT1RAB9A
SCHEMBL31285341 0.85 NOTUM (0.46) NOTUMMAPTSMN1; SMN2MALT1RAB9A
SCHEMBL31285385 0.85 NOTUM (0.46) NOTUMMAPTSMN1; SMN2MALT1RAB9A
SCHEMBL31284657 0.84 NOTUM (0.43) NOTUMMALT1HTR6NPY5R
SCHEMBL31284447 0.84 NOTUM (0.45) NOTUMMAPTSMN1; SMN2RAB9ASLC6A3

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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