SCHEMBL8915034

SCHEMBL8915034

CC(O)CC=Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.63
HTR1D P28221 5/20 0.63
HTR1A P08908 2/20 0.58
HTR6 P50406 10/20 0.55
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49

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
SCHEMBL8915028 1.00 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8913542 0.88 HTR1B (0.66) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8913545 0.88 HTR1B (0.66) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8913550 0.88 HTR1B (0.66) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8913959 0.86 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8913966 0.86 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL14593919 0.84 HTR1B (0.69) HTR1BHTR1DHTR1AHTR6
SCHEMBL8913731 0.84 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8913736 0.84 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6NOS3
SCHEMBL8479254 0.83 HTR1B (0.71) 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 4 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
EP-0695301-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LTD (GB) 1996-02-07 EP disclosed
WO-1994024127-A1 INDOLE DERIVATIVES AS 5-H1-LIKE AGONISTS FOR USE IN MIGRAINE PFIZER LIMITED (GB) 1994-10-27 WO disclosed