SCHEMBL9559630

SCHEMBL9559630

COc1cc(NC(=O)OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.56
▸ LMNA P02545 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ SLC29A1 Q99808 4/20 0.54
▸ CACNA1G O43497 2/20 0.52
▸ HTR4 Q13639 2/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ DRD2 P14416 4/20 0.51
▸ DRD4 P21917 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CHRM3 P20309 1/20 0.51

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
SCHEMBL9559605 0.91 TP53 (0.57) TP53LMNAMAPTMAPK1SLC29A1
SCHEMBL9559731 0.90 THRB (0.59) TP53LMNAMAPTSLC29A1CACNA1G
SCHEMBL9559610 0.90 TP53 (0.56) TP53LMNAMAPTMAPK1ALOX15
SCHEMBL9559661 0.89 TP53 (0.51) TP53LMNAMAPTMAPK1ALOX15
SCHEMBL9559709 0.85 DRD2 (0.55) TP53LMNAMAPK1SLC29A1CACNA1G
SCHEMBL9559855 0.85 TP53 (0.59) TP53LMNASLC29A1HTR4ADORA2B
SCHEMBL9559712 0.84 CACNA1G (0.57) TP53LMNAMAPTCACNA1GDRD2
SCHEMBL9132937 0.84 SLC29A1 (0.70) TP53LMNAMAPK1SLC29A1SMN1; SMN2
SCHEMBL9559698 0.83 DRD2 (0.62) TP53CACNA1GDRD2MEN1KMT2A
SCHEMBL5655987 0.83 NPSR1 (0.69) LMNAMAPTCACNA1GHTR4DRD2

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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