SCHEMBL5796580

SCHEMBL5796580

CN(C)CCc1c[nH]c2ccc(Cc3cc4cc(Cc5nc[nH]n5)ccc4n3CCN(C)C)cc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.56
HTR2C P28335 10/20 0.55
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
ADRA2C P18825 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
HTR5A P47898 1/20 0.44

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
SCHEMBL5752140 0.85 HTR1A (0.71) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL8784258 0.73 HTR1A (0.71) HTR1AHTR2CHTR1DHTR1BADRA2C
SCHEMBL8783632 0.72 HTR1A (1.00) HTR1AHTR2CHTR1DHTR1BADRA2C
SCHEMBL8783763 0.71 HTR1A (1.00) HTR1AHTR2CHTR1DHTR1BADRA2C
SCHEMBL7843588 0.71 HTR1A (0.50) HTR1AHTR2CHTR1DHTR1B
SCHEMBL8784288 0.68 HTR1A (0.64) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL8784514 0.68 HTR1A (1.00) HTR1AHTR2CHTR1DHTR1BADRA2C
SCHEMBL8868836 0.68 HTR1A (0.71) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL8899999 0.67 HTR1A (0.67) HTR1AHTR2CHTR1DHTR1BHTR2A
Oxalic Acid SCHEMBL8900028 0.67 HTR1A (0.88) HTR1AHTR2CHTR1DHTR1BHTR2A

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
WO-2006053116-A2 RIZATRIPTAN PROCESS DR. REDDY'S LABORATORIES LTD. (IN) 2006-05-18 WO claimed
WO-2006053116-A2 RIZATRIPTAN PROCESS DR. REDDY'S LABORATORIES LTD. (IN) 2006-05-18 WO disclosed