SCHEMBL8124362

SCHEMBL8124362

Fc1ccc2[nH]cc(CC3CCN(Cc4ccccc4)C3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.56
HTR1A P08908 1/20 0.56
MAPK1 P28482 1/20 0.54

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
SCHEMBL8127891 0.88 OPRM1 (0.64) SLC6A4HTR1A
SCHEMBL8120129 0.87 HTR1A (0.56) HTR1A
SCHEMBL8133153 0.87 BCHE (0.63) SLC6A4HTR1A
SCHEMBL8130150 0.86 HTR1D (0.49) HTR1A
SCHEMBL29445154 0.84 SLC6A4 (0.53) SLC6A4HTR1AMAPK1
SCHEMBL6214011 0.84 SLC6A4 (0.61) SLC6A4HTR1A
SCHEMBL8131987 0.84 SIGMAR1 (0.65) SLC6A4HTR1A
SCHEMBL27118744 0.83 TACR1 (0.49) SLC6A4
SCHEMBL8129624 0.82 GAA (0.55) SLC6A4HTR1A
SCHEMBL8133636 0.82 SLC6A4 (0.57) SLC6A4HTR1AMAPK1

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
EP-0610134-B1 Indole derivatives as 5-HT1-like agonists ADIR (FR) 2000-04-05 EP disclosed
US-5348968-A Migraines ADIR ET COMPAGNIE (FR) 1994-09-20 US disclosed
EP-0610134-A1 Indole, indazole and benzisoxazole derivatives as 5-HT1-like agonists ADIR ET COMPAGNIE (FR) 1994-08-10 EP disclosed