SCHEMBL30932245

SCHEMBL30932245

CCC(=O)N[C@@H](C)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.56
▸ HRH3 Q9Y5N1 4/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ AOC3 Q16853 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL21378567 0.82 HRH3 (0.51) ACACBHRH3ALDH1A1GAAMAPT
SCHEMBL21378570 0.82 HRH3 (0.51) ACACBHRH3ALDH1A1GAAMAPT
SCHEMBL19177688 0.81 HRH3 (0.49) HRH3ALDH1A1GAAMAPTMAPK1
SCHEMBL14846679 0.81 HRH3 (0.49) HRH3ALDH1A1GAAMAPTMAPK1
SCHEMBL27761805 0.78 HRH3 (0.56) HRH3ALDH1A1GAAMAPTMAPK1
SCHEMBL27848477 0.77 HRH3 (0.55) HRH3ALDH1A1GAAMAPTMAPK1
SCHEMBL12699856 0.76 HRH3 (0.61) HRH3ALDH1A1GAAMAPTMAPK1
SCHEMBL30134231 0.76 HRH3 (0.61) HRH3ALDH1A1GAAMAPTMAPK1
SCHEMBL4547887 0.76 HRH3 (0.65) HRH3ALDH1A1GAAMAPTMAPK1
SCHEMBL10077424 0.75 HRH3 (0.59) HRH3ALDH1A1GAAMAPTMAPK1

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-3253737-B3 AUTOTAXIN INHIBITORY COMPOUNDS CANCER RESEARCH TECH LTD (GB) 2024-05-29 — — EP disclosed
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