SCHEMBL8805973

SCHEMBL8805973

O=C1CCc2cc(N3CCC(O)CC3)c(C(F)(F)F)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.43
▸ PDE3A Q14432 3/20 0.43
▸ DRD2 P14416 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KIF11 P52732 7/20 0.40
▸ TRPV1 Q8NER1 3/20 0.37
▸ ULK1 O75385 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL8805822 0.84 LMNA (0.42) DRD2MEN1ALDH1A1MAPTKMT2A
SCHEMBL8805609 0.81 HSP90AA1 (0.37) PDE3BPDE3AMEN1ALDH1A1MAPT
SCHEMBL8805728 0.81 LMNA (0.44) PDE3BPDE3ADRD2ALDH1A1MAPT
SCHEMBL8808373 0.81 DRD2 (0.39) PDE3ADRD2MEN1ALDH1A1MAPT
SCHEMBL8805823 0.79 CRBN (0.44) PDE3BPDE3ADRD2ALDH1A1MAPT
SCHEMBL8806081 0.78 DRD2 (0.42) DRD2MEN1ALDH1A1MAPTKMT2A
SCHEMBL8806549 0.77 MAPT (0.51) MEN1ALDH1A1MAPTKMT2AKIF11
SCHEMBL8807339 0.73 SLC6A4 (0.52) PDE3BPDE3AKIF11
SCHEMBL30806668 0.69 KIF11 (0.46) MEN1KMT2AKIF11ULK1LMNA
SCHEMBL8806234 0.66 HSP90AA1 (0.37) PDE3BPDE3ADRD2MEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0583136-B1 Piperidino-3,4-dihydrocarbostyryl compounds for the treatment of ischemic disorders KISSEI PHARMACEUTICAL (JP) 1997-10-08 — — EP disclosed
US-5294718-A Platelet aggregation inhibitors; antiischemic agents; side effect reduction KISSEI PHARMACEUTICAL CO., LTD. (JP) 1994-03-15 — — US disclosed
EP-0583136-A2 Piperidino-3,4-dihydrocarbostyryl compounds for the treatment of ischemic disorders Kissei Pharmaceutical Co., Ltd. (JP) 1994-02-16 — — EP disclosed
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