SCHEMBL8913747

SCHEMBL8913747

CNS(=O)(=O)CCN1CCC[C@@H]1Cc1c[nH]c2ccc(CCC3(O)CCCC3)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 12/20 0.59
HTR1D P28221 9/20 0.59
HTR1A P08908 6/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD1 P21728 1/20 0.51
SLC6A2 P23975 1/20 0.51
OPRM1 P35372 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HTR2A P28223 2/20 0.43
HTR6 P50406 8/20 0.42
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41
HTR1F P30939 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
HTR5A P47898 1/20 0.41

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
SCHEMBL8916721 0.89 HTR1B (0.51) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8914926 0.89 HTR1B (0.51) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8915517 0.87 HTR1B (0.51) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8915900 0.86 HTR1B (0.48) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8917681 0.86 HTR1B (0.49) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8914437 0.86 HTR1B (0.49) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL9034392 0.85 HTR1B (0.52) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL9394185 0.85 HTR1B (0.48) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8914697 0.85 HTR1B (0.51) HTR1BHTR1DHTR1ACHRM2ADRA2A
SCHEMBL8917189 0.84 HTR1B (0.49) HTR1BHTR1DHTR1ACHRM2ADRA2A

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
US-5607960-A Indole derivatives as 5-HT1-like agonists for use in migraine PFIZER INC. (US) 1997-03-04 US disclosed
EP-0695301-B1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-10-30 EP disclosed
WO-1994024127-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LIMITED (GB) 1994-10-27 WO disclosed