SCHEMBL5752140

SCHEMBL5752140

CN(C)CCc1c[nH]c2ccc(Cc3nc[nH]n3)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.71
HTR2C P28335 11/20 0.67
HTR1D P28221 4/20 0.64
HTR1B P28222 3/20 0.64
HTR2A P28223 3/20 0.58
HTR1E P28566 2/20 0.58
HTR1F P30939 2/20 0.58
HTR7 P34969 2/20 0.58
HTR2B P41595 2/20 0.58
HTR3A P46098 2/20 0.58
HTR5A P47898 2/20 0.58
SLC47A1 Q96FL8 1/20 0.58
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
HTR6 P50406 1/20 0.56

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
SCHEMBL5796580 0.85 HTR1A (0.56) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL7843588 0.84 HTR1A (0.50) HTR1AHTR2CHTR1DHTR1B
SCHEMBL8784258 0.81 HTR1A (0.71) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL8784288 0.81 HTR1A (0.64) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL8783632 0.80 HTR1A (1.00) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL8868836 0.80 HTR1A (0.71) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL8899999 0.80 HTR1A (0.67) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL8783635 0.79 HTR1D (0.60) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL22612481 0.79 HTR1A (1.00) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL31574201 0.79 HTR1A (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527053-B8 PROCESS FOR PREPARING RIZATRIPTAN INKE SA (ES) 2006-03-08 EP disclosed
EP-1527053-A1 PROCESS FOR PREPARING RIZATRIPTAN VITA CIENTIFICA, S.L. (ES) 2005-05-04 EP disclosed
WO-2004014877-A1 PROCESS FOR PREPARING RIZATRIPTAN VITA CIENTIFICA, S.L. (ES) 2004-02-19 WO disclosed