SCHEMBL1453

SCHEMBL1453

CCOC(=O)N1CCN(S(=O)(=O)Cc2ccc3[nH]cc(CCN(C)C)c3c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.72
HTR2A P28223 2/20 0.72
HTR2B P41595 2/20 0.72
LMNA P02545 1/20 0.72
ADRA2B P18089 1/20 0.72
KCNH2 Q12809 1/20 0.72
HTR5A P47898 9/20 0.55
HTR1D P28221 6/20 0.55
HTR1B P28222 5/20 0.55
HTR2C P28335 1/20 0.55
HTR1E P28566 1/20 0.55
HTR1F P30939 1/20 0.55
HTR7 P34969 1/20 0.55
HTR3A P46098 1/20 0.55
SLC47A1 Q96FL8 1/20 0.55
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
Almotriptan SCHEMBL3273179 0.84 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL29396422 0.84 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL1957 0.84 HTR1A (1.00) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL1774275 0.84 HTR1A (0.90) HTR1AHTR2AHTR2BLMNAADRA2B
SCHEMBL1437 0.83 HTR1A (0.98) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL2166 0.83 HTR1A (0.98) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL5042399 0.83 HTR1A (0.96) HTR1AHTR2AHTR2BLMNAADRA2B
Hydrochloric Acid SCHEMBL2312 0.83 HTR1A (0.96) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL2761861 0.82 HTR1A (0.86) HTR1AHTR2AHTR2BLMNAADRA2B
Almotriptan SCHEMBL1848914 0.81 HTR1A (0.85) HTR1AHTR2AHTR2BLMNAADRA2B

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
EP-0605697-B1 INDOL DERIVATIVES FOR THE TREATMENT OF MIGRAINE ALMIRALL PRODESFARMA SA (ES) 1999-03-03 EP claimed
US-5565447-A ALMOTRIPTAN MALATE; TREATING HEADACHES, MOVEMENT DISORDERS, DEPRESSION, ANXIETY LABORATORIOS ALMIRALL S.A. (ES) 1996-10-15 US claimed
EP-0605697-A1 INDOL DERIVATIVES FOR THE TREATMENT OF MIGRAINE LABORATORIOS ALMIRALL SA (ES) 1994-07-13 EP claimed
WO-1994002460-A1 INDOL DERIVATIVES FOR THE TREATMENT OF MIGRAINE LABORATORIOS ALMIRALL S.A. (ES) 1994-02-03 WO claimed