SCHEMBL7318913

SCHEMBL7318913

C=CCn1cc(C(=O)CCc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
CREBBP Q92793 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KAT2B Q92831 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 2/20 0.34
NR2F2 P24468 1/20 0.34

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
SCHEMBL7311235 0.88 L3MBTL1 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7318505 0.86 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7317210 0.86 CNR1 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7324520 0.85 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7314700 0.83 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7267093 0.81 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7318822 0.80 KDM4E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
Maleic Acid SCHEMBL7314151 0.78 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
Fumaric Acid SCHEMBL7314159 0.78 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7289572 0.76 CTNNB1 (0.49) KMT2AALDH1A1MAPK1MEN1SMN1; SMN2

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
EP-0242973-B1 INDOLE DERIVATIVES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1991-07-17 EP disclosed
US-4808581-A ANXIOLYTIC, ANTIEMETIC, TREATMENT OF PSYCHOLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 1989-02-28 US disclosed