SCHEMBL8914830

SCHEMBL8914830

O=C(CCc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1)C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.53
HTR1A P08908 2/20 0.48
HTR1B P28222 2/20 0.48
HTR2C P28335 2/20 0.48
HTR1F P30939 2/20 0.48
HTR1D P28221 1/20 0.46
HTR7 P34969 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL8915443 0.87 HTR6 (0.55) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8546331 0.79 HTR6 (0.55) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8921472 0.79 HTR6 (0.55) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8699573 0.79 HTR6 (0.64) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8699581 0.79 HTR6 (0.64) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL19148087 0.78 HTR6 (0.64) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8789712 0.78 HTR6 (0.56) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8913687 0.78 HTR6 (0.54) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL8789718 0.78 HTR6 (0.56) HTR6HTR1AHTR1BHTR2CHTR1F
SCHEMBL7665068 0.78 HTR6 (0.54) HTR6HTR1AHTR1BHTR2CHTR1F

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