SCHEMBL8806234

SCHEMBL8806234

O=C1CCc2c(ccc(N3CCC(O)CC3)c2Br)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ HTR1D P28221 2/20 0.35
▸ HTR1B P28222 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL8805917 0.84 DRD2 (0.37) DRD2HTR1AHTR1DHTR1BSLC6A4
SCHEMBL8806809 0.82 SCN1A (0.35) DRD2HTR1AHTR1DHTR1BSLC6A4
SCHEMBL8806639 0.80 ALDH1A1 (0.43) HSP90AA1HSP90AB1DRD2HTR1AHTR1D
SCHEMBL8805609 0.74 HSP90AA1 (0.37) HSP90AA1HSP90AB1TRPV1MAPTLMNA
SCHEMBL8807339 0.70 SLC6A4 (0.52) HTR1ASLC6A4KCNH2PDE3BPDE3A
SCHEMBL8808373 0.68 DRD2 (0.39) DRD2HTR1AHTR1DHTR1BSLC6A4
SCHEMBL8805822 0.68 LMNA (0.42) DRD2HTR1AMAPTLMNAHTT
SCHEMBL8805728 0.68 LMNA (0.44) DRD2MAPTLMNAHTTALDH1A1
SCHEMBL8806081 0.68 DRD2 (0.42) DRD2KDM1AMAPTLMNAHTT
SCHEMBL18513623 0.67 NPC1 (0.39) DRD2HTR1AHTR1DDRD4DRD3

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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