SCHEMBL9228971

SCHEMBL9228971

COc1cc(NC(=O)OCCCN2CCN(c3cccc4ccccc34)CC2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 9/20 0.55
▸ DRD2 P14416 9/20 0.55
▸ FAAH O00519 3/20 0.55
▸ CNR1 P21554 2/20 0.55
▸ DRD4 P21917 4/20 0.53
▸ TP53 P04637 1/20 0.51
▸ SLC29A1 Q99808 2/20 0.50
▸ HTR2A P28223 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TSHR P16473 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
SCHEMBL9559698 0.89 DRD2 (0.62) DRD3DRD2TP53HTR2AMEN1
SCHEMBL9559709 0.88 DRD2 (0.55) DRD3DRD2DRD4TP53SLC29A1
SCHEMBL9229836 0.86 MEN1 (0.52) DRD3DRD2SLC29A1HTR2AMEN1
SCHEMBL9559731 0.81 THRB (0.59) DRD3DRD2DRD4TP53SLC29A1
SCHEMBL9132937 0.81 SLC29A1 (0.70) TP53SLC29A1HTR2AMEN1KMT2A
SCHEMBL9559605 0.80 TP53 (0.57) DRD2DRD4TP53SLC29A1HTR2A
SCHEMBL9223178 0.80 TSHR (0.54) DRD3DRD2DRD4TP53HTR2A
SCHEMBL9226276 0.80 ALDH1A1 (0.52) DRD3DRD2DRD4HTR2AMEN1
SCHEMBL9559610 0.79 TP53 (0.56) TP53SLC29A1HTR2AMEN1KMT2A
SCHEMBL9559630 0.79 TP53 (0.56) DRD2DRD4TP53SLC29A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544765-B1 Piperazinyl derivatives with affinity for 5-HT receptors NOVO NORDISK AS (DK) 1995-08-02 — — EP claimed
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
EP-0544765-B1 Piperazinyl derivatives with affinity for 5-HT receptors NOVO NORDISK AS (DK) 1995-08-02 — — EP disclosed
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
Send feedback