SCHEMBL7437223

SCHEMBL7437223

Cc1[nH]cnc1CC1CC(OC(=O)/C=C\C(=O)OC2CC(Cc3nc[nH]c3C)C(=O)c3c2ccc2ccccc32)c2ccc3ccccc3c2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
CASP6 P55212 1/20 0.33
PKM P14618 1/20 0.32
GABRR1 P24046 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL10522151 0.82 HTR3A (0.44) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9597133 0.82 PADI4 (0.34) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9596051 0.80 P2RX7 (0.34) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9597476 0.79 P2RX7 (0.32) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9596742 0.78 HTR3A (0.38) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9597348 0.77 HTR3A (0.36) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9597678 0.77 HTR3A (0.38) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9596524 0.77 HTR3A (0.36) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9597198 0.77 HTR3A (0.35) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9597016 0.76 HTR6 (0.36) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2049772-A None JP disclosed
US-5116984-A 5-hydroxytryptamine antagonists GLAXO GROUP LIMITED (GB) 1992-05-26 US disclosed
JP-H0249772-A IMIDAZOLE DERIVATIVE GLAXO GROUP LTD 1990-02-20 JP disclosed
EP-0336759-A1 Imidazole derivatives GLAXO GROUP LIMITED (GB) 1989-10-11 EP disclosed