SCHEMBL9258182

SCHEMBL9258182

ClCc1nc2ccccc2c2ccnn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.43
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MAPK1 P28482 1/20 0.38
PDE10A Q9Y233 2/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL9270429 0.80 PDE10A (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL364104 0.77 PDE10A (0.59) KMT2AMEN1KDM4EPDE10A
SCHEMBL370069 0.75 PDE10A (0.43) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL362986 0.75 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10099727 0.75 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9138426 0.75 HTR3E (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1161498 0.69 HDAC6 (0.64) LMNAKDM4EALDH1A1NPSR1MAPT
SCHEMBL29571733 0.69 HDAC6 (0.64) LMNAKDM4EALDH1A1NPSR1MAPT
SCHEMBL11326164 0.69 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9659892 0.68 LMNA (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C

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
US-5387585-A Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia HOFFMANN-LA ROCHE INC. (US) 1995-02-07 US disclosed
EP-0519307-A2 Tetracyclic Imidazodiazepines F. HOFFMANN-LA ROCHE AG (CH) 1992-12-23 EP disclosed