SCHEMBL11220732

SCHEMBL11220732

COC(=O)CCCOc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.64
PDE3A Q14432 8/20 0.64
P2RY12 Q9H244 5/20 0.48
KDM1A O60341 1/20 0.46
DRD2 P14416 2/20 0.46
HTR1A P08908 2/20 0.46
HTR2A P28223 1/20 0.46
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PDE2A O00408 1/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRB2 P07550 1/20 0.42
SLC6A4 P31645 1/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42

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
SCHEMBL293145 0.81 PDE3B (0.57) PDE3BPDE3AKDM1ADRD2HTR1A
SCHEMBL6329420 0.80 DRD4 (0.50) PDE3BPDE3ADRD2HTR1AHTR2A
SCHEMBL10923658 0.79 PDE3B (0.55) PDE3BPDE3AKDM1ADRD2DRD4
SCHEMBL24508418 0.79 PDE3B (0.57) PDE3BPDE3AKDM1ADRD2HTR1A
SCHEMBL14816115 0.78 SMN1; SMN2 (0.57) PDE3BPDE3AP2RY12ALDH1A1MAPT
SCHEMBL30871998 0.77 DRD4 (0.59) PDE3BPDE3ADRD2DRD4DRD3
SCHEMBL1494348 0.77 DRD4 (0.59) PDE3BPDE3ADRD2DRD4DRD3
SCHEMBL20424894 0.77 DRD4 (0.52) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL14815900 0.76 PDE3B (0.50) PDE3BPDE3AKDM1ADRD4DRD3
SCHEMBL24508429 0.74 KDM1A (0.61) PDE3BPDE3AKDM1ADRD2HTR1A

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
JP-57209281-A None JP disclosed
JP-S57209281-A BENZOXAZINE DERIVATIVE OTSUKA PHARMACEUT CO LTD 1982-12-22 JP disclosed