SCHEMBL9559726

SCHEMBL9559726

COc1cc(NC(=S)OCCCN2CCN(c3ccccc3Cl)CC2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.50
▸ DRD3 P35462 4/20 0.50
▸ DRD4 P21917 2/20 0.50
▸ ADORA2B P29275 1/20 0.48
▸ HTR4 Q13639 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CACNA1G O43497 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SLC29A1 Q99808 2/20 0.47
▸ HTR7 P34969 4/20 0.47
▸ HTR2A P28223 3/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL9559709 0.90 DRD2 (0.55) DRD2DRD3DRD4ADORA2BHTR4
SCHEMBL9559661 0.86 TP53 (0.51) DRD2DRD3DRD4ADORA2BHTR4
SCHEMBL9559704 0.86 THRB (0.57) DRD2DRD3ADORA2BHTR4TP53
SCHEMBL9559698 0.82 DRD2 (0.62) DRD2DRD3TP53CACNA1GMEN1
SCHEMBL9228971 0.78 DRD3 (0.55) DRD2DRD3DRD4TP53MEN1
SCHEMBL5654727 0.77 ADRA1D (0.62) DRD2DRD3DRD4ADORA2BHTR4
SCHEMBL11168269 0.76 DRD2 (0.67) DRD2DRD3DRD4CACNA1GMEN1
SCHEMBL9559731 0.76 THRB (0.59) DRD2DRD3DRD4ADORA2BHTR4
SCHEMBL9559630 0.75 TP53 (0.56) DRD2DRD4ADORA2BHTR4TP53
SCHEMBL9229836 0.73 MEN1 (0.52) DRD2DRD3MEN1KMT2ASLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544765-A1 PIPERAZINYL DERIVATIVES. NOVO NORDISK AS (DK) 1993-06-09 — — EP claimed
WO-1992003426-A1 PIPERAZINYL DERIVATIVES NOVO NORDISK A/S (DK) 1992-03-05 — — WO claimed
US-5246935-A Cardiovascular and gastrointestinal NOVO NORDISK A/S (DK) 1993-09-21 — — US disclosed
EP-0544765-A1 PIPERAZINYL DERIVATIVES. NOVO NORDISK AS (DK) 1993-06-09 — — EP disclosed
WO-1992003426-A1 PIPERAZINYL DERIVATIVES NOVO NORDISK A/S (DK) 1992-03-05 — — WO disclosed
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