SCHEMBL8385371

SCHEMBL8385371

CS(=O)(=O)n1cc(C2=CCN3CCCC3C2)c2cc(N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.42
HTR1A P08908 2/20 0.36
HTR3A P46098 4/20 0.34
HTR7 P34969 1/20 0.33
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33

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
SCHEMBL7008647 0.78 HTR6 (0.50) HTR6
SCHEMBL7008649 0.78 HTR6 (0.50) HTR6
SCHEMBL3132568 0.77 HTR6 (0.41) HTR6HTR3A
Hydrochloric Acid SCHEMBL3132503 0.76 HTR6 (0.42) HTR6HTR3A
SCHEMBL7009126 0.76 HTR6 (0.57) HTR6
SCHEMBL7009122 0.76 HTR6 (0.57) HTR6
SCHEMBL7007626 0.76 HTR6 (0.52) HTR6
SCHEMBL7007623 0.76 HTR6 (0.52) HTR6
SCHEMBL7005759 0.75 HTR6 (0.44) HTR6
SCHEMBL7005763 0.75 HTR6 (0.44) HTR6

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-5874427-A MIGRAINE ELI LILLY AND COMPANY (US) 1999-02-23 US disclosed
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed
WO-1998046570-A1 SUBSTITUTED HETEROAROMATIC 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed