SCHEMBL9559704

SCHEMBL9559704

COc1cc(NC(=S)OCCCN2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KCNH2 Q12809 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ADORA2B P29275 1/20 0.49
▸ HTR4 Q13639 1/20 0.49
▸ CACNA1G O43497 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ ABCB1 P08183 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL9559731 0.91 THRB (0.59) THRBLMNAUSP2L3MBTL1KCNH2
SCHEMBL9559661 0.90 TP53 (0.51) LMNAUSP2KCNH2TP53MAPT
SCHEMBL9559726 0.86 DRD2 (0.50) LMNATP53MEN1KMT2AADORA2B
SCHEMBL9559630 0.81 TP53 (0.56) LMNAUSP2KCNH2TP53MAPT
SCHEMBL9559576 0.78 HTR2A (0.61) LMNAUSP2TP53MAPTHTR4
SCHEMBL9559709 0.78 DRD2 (0.55) LMNAKCNH2TP53MEN1KMT2A
SCHEMBL5654244 0.78 L3MBTL1 (0.75) THRBL3MBTL1KCNH2MAPTMEN1
SCHEMBL11172796 0.77 HTR2A (0.57) THRBLMNAUSP2L3MBTL1KCNH2
SCHEMBL9559698 0.76 DRD2 (0.62) TP53MEN1KMT2ACACNA1GDRD2
SCHEMBL9559605 0.76 TP53 (0.57) LMNAKCNH2TP53MAPTMEN1

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 4 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
WO-1992003426-A1 PIPERAZINYL DERIVATIVES NOVO NORDISK A/S (DK) 1992-03-05 — — WO disclosed
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