SCHEMBL8913513

SCHEMBL8913513

CN1CCC[C@@H]1Cc1c[nH]c2ccc(C=CCC3(O)CCCC3)cc12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.59
HTR1D P28221 5/20 0.59
HTR1A P08908 2/20 0.56
HTR6 P50406 7/20 0.53
NOS3 P29474 4/20 0.47
NOS1 P29475 4/20 0.47

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
SCHEMBL8913506 1.00 HTR1B (0.59) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8914050 0.87 HTR1B (0.64) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8914054 0.87 HTR1B (0.64) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8913910 0.86 HTR1B (0.62) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8913914 0.86 HTR1B (0.62) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8915693 0.85 HTR1B (0.64) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8915702 0.85 HTR1B (0.64) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8913966 0.84 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8913959 0.84 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL14593919 0.83 HTR1B (0.69) HTR1BHTR1DHTR1AHTR6

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-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