SCHEMBL9559731

SCHEMBL9559731

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ USP2 O75604 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ TP53 P04637 1/20 0.57
▸ KCNH2 Q12809 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ CACNA1G O43497 3/20 0.53
▸ HTR4 Q13639 2/20 0.53
▸ ADORA2B P29275 1/20 0.53
▸ SLC29A1 Q99808 1/20 0.52
▸ DRD2 P14416 2/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL9559704 0.91 THRB (0.57) THRBLMNAUSP2L3MBTL1TP53
SCHEMBL9559630 0.90 TP53 (0.56) LMNAUSP2TP53KCNH2MAPT
SCHEMBL9559576 0.87 HTR2A (0.61) LMNAUSP2TP53MAPTHTR4
SCHEMBL5654244 0.85 L3MBTL1 (0.75) THRBL3MBTL1KCNH2MAPTMEN1
SCHEMBL9559709 0.85 DRD2 (0.55) LMNATP53KCNH2MEN1KMT2A
SCHEMBL9559605 0.85 TP53 (0.57) LMNATP53KCNH2MAPTMEN1
SCHEMBL11166971 0.84 L3MBTL1 (0.54) THRBLMNAUSP2L3MBTL1KCNH2
SCHEMBL9559610 0.84 TP53 (0.56) LMNAL3MBTL1TP53KCNH2MAPT
SCHEMBL9559698 0.83 DRD2 (0.62) TP53MEN1KMT2ACACNA1GDRD2
SCHEMBL9132937 0.82 SLC29A1 (0.70) LMNATP53KCNH2MEN1KMT2A

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 2 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
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