SCHEMBL9245586

SCHEMBL9245586

CN(C)C(=O)OC1COc2ccc3[nH]c(=O)ccc3c2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ MTNR1A P48039 2/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ MAPKAPK2 P49137 4/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL9626626 0.76 PDE3B (0.33) MTNR1APDE3BPDE3AKDM4EALOX15
SCHEMBL9096470 0.71 HPGD (0.50) PDE3BPDE3AKDM4EALDH1A1MAPT
SCHEMBL9626996 0.67 KDM4E (0.50) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL9096832 0.65 PDE3B (0.38) PDE3BPDE3AMAPKAPK2KDM4EALDH1A1
SCHEMBL9628449 0.64 HTR2A (0.41) HTR1AHTR2AHTR2CHTR2BPDE3B
SCHEMBL9095629 0.63 PDE3B (0.34) PDE3BPDE3AMAPKAPK2ALDH1A1CYP1A2
SCHEMBL9097597 0.62 PDE3B (0.33) PDE3BPDE3AHPGD
SCHEMBL5583694 0.61 HTR1A (0.41) HTR1AMTNR1AKDM4ECYP1A2MAPT
SCHEMBL9626856 0.61 HPGD (0.50) PDE3BPDE3AKDM4EALDH1A1CYP1A2
SCHEMBL472541 0.60 DRD2 (0.36) HTR1ADRD2HTR2AHTR2CMTNR1A

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-7173163-A — — None — — JP disclosed
JP-H07173163-A PYRANO(F)QUINOLINE DERIVATIE AND PHARMACEUTICAL COMPOSITION CONTAINING THE COMPOUND AS ACTIVE COMPOENT KODAMA KK 1995-07-11 — — JP disclosed
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