SCHEMBL31098222

SCHEMBL31098222

O=C(O)COCCN1CCCN(C2=Nc3ccccc3Oc3ccc(C(F)(F)F)cc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 4/20 0.49
▸ CHRM1 P11229 3/20 0.49
▸ DRD2 P14416 3/20 0.49
▸ DRD4 P21917 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ FPR2 P25090 1/20 0.48
▸ TACR1 P25103 3/20 0.42
▸ HTR2C P28335 6/20 0.42
▸ HTR2A P28223 4/20 0.42
▸ HRH4 Q9H3N8 3/20 0.42

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
SCHEMBL31098245 0.97 DRD3 (0.51) DRD3CHRM1DRD2DRD4MEN1
SCHEMBL31098235 0.84 MEN1 (0.69) DRD3CHRM1DRD2DRD4MEN1
SCHEMBL31098225 0.78 HRH4 (0.64) DRD3CHRM1DRD2DRD4MEN1
SCHEMBL7408774 0.76 HRH4 (0.69) DRD3CHRM1DRD2DRD4MEN1
SCHEMBL31098233 0.76 DRD4 (0.45) DRD3CHRM1DRD2DRD4MEN1
SCHEMBL3840090 0.74 HRH4 (0.52) DRD3CHRM1DRD2DRD4MEN1
SCHEMBL31098208 0.73 DRD2 (0.64) DRD3CHRM1DRD2DRD4MEN1
SCHEMBL4187091 0.72 HRH4 (0.53) DRD3CHRM1DRD2DRD4MEN1
SCHEMBL31098236 0.72 DRD2 (0.69) DRD3CHRM1DRD2DRD4MEN1
SCHEMBL4173790 0.72 HRH4 (0.54) DRD3CHRM1DRD2DRD4MEN1

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
EP-4428132-A1 SLACK-ACTIVATING COMPOUNDS AND THEIR MEDICAL USE Johann-Wolfgang-Goethe-Universität Frankfurt am Main (DE) 2024-09-11 — — EP disclosed
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