SCHEMBL9049477

SCHEMBL9049477

COc1ncnc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c1OC

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.66
HTR7 P34969 5/20 0.63
SLC6A4 P31645 4/20 0.63
KCNH2 Q12809 3/20 0.63
MPO P05164 3/20 0.61

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
SCHEMBL13620285 0.91 HTR1A (0.66) HTR1AHTR7SLC6A4KCNH2MPO
Hydrochloric Acid SCHEMBL9049018 0.90 HTR1A (0.65) HTR1AHTR7SLC6A4KCNH2MPO
SCHEMBL9047985 0.90 HTR1A (0.69) HTR1A
Hydrochloric Acid SCHEMBL9048598 0.90 HTR1A (0.64) HTR1AHTR7SLC6A4KCNH2MPO
SCHEMBL9048166 0.87 HTR1A (0.51) HTR1AHTR7SLC6A4KCNH2MPO
SCHEMBL6765833 0.84 HTR1A (0.48) HTR1AHTR7SLC6A4KCNH2
SCHEMBL4357142 0.84 HTR1A (0.68) HTR1AHTR7SLC6A4KCNH2MPO
Hydrochloric Acid SCHEMBL4356376 0.83 HTR1A (0.70) HTR1AHTR7SLC6A4KCNH2MPO
Hydrochloric Acid SCHEMBL4347864 0.83 HTR1A (0.70) HTR1AHTR7SLC6A4KCNH2MPO
SCHEMBL6765827 0.83 HTR1D (0.53) HTR1AHTR7SLC6A4KCNH2

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
EP-0714896-A1 INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION VITA-INVEST, S.A. (ES) 1996-06-05 EP claimed
EP-0714896-A1 INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION VITA-INVEST, S.A. (ES) 1996-06-05 EP disclosed