SCHEMBL21970659

SCHEMBL21970659

C[C@@H]1CC(=O)NN=C1c1ccc(NCCO)c(F)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ GALR3 O60755 1/20 0.71
▸ MAPT P10636 1/20 0.71
▸ PDE3B Q13370 16/20 0.56
▸ PDE3A Q14432 16/20 0.56
▸ PDE4A P27815 3/20 0.50
▸ PDE4B Q07343 3/20 0.50
▸ PDE4C Q08493 3/20 0.50
▸ PDE4D Q08499 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL10736918 0.88 GALR3 (0.72) SMN1; SMN2GALR3MAPTPDE3BPDE3A
SCHEMBL21970121 0.87 PDE3B (0.59) SMN1; SMN2GALR3MAPTPDE3BPDE3A
SCHEMBL10558594 0.83 PDE3B (0.65) SMN1; SMN2GALR3MAPTPDE3BPDE3A
SCHEMBL21970685 0.83 PDE3B (0.65) SMN1; SMN2GALR3MAPTPDE3BPDE3A
SCHEMBL16157214 0.83 MAPT (1.00) SMN1; SMN2GALR3MAPTPDE3BPDE3A
SCHEMBL31117000 0.82 PDE3B (0.61) SMN1; SMN2GALR3MAPTPDE3BPDE3A
SCHEMBL16157204 0.82 PDE3B (0.61) SMN1; SMN2GALR3MAPTPDE3BPDE3A
SCHEMBL16157009 0.82 PDE3B (0.76) SMN1; SMN2GALR3MAPTPDE3BPDE3A
SCHEMBL7276856 0.80 GALR3 (0.59) SMN1; SMN2GALR3MAPTPDE3BPDE3A
SCHEMBL16157205 0.79 PDE3B (0.66) GALR3MAPTPDE3BPDE3APDE4A

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-2970145-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER BROAD INST INC (US) 2020-05-06 — — EP disclosed
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