SCHEMBL8539433

SCHEMBL8539433

N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc(C(F)(F)F)cc4)CC3)c2c1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.72

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
SCHEMBL4416131 0.91 HTR1A (0.79) HTR1A
Hydrochloric Acid SCHEMBL4426960 0.90 HTR1A (0.77) HTR1A
SCHEMBL9696723 0.90 HTR1A (0.67) HTR1A
SCHEMBL7530566 0.89 HTR1A (0.76) HTR1A
Hydrochloric Acid SCHEMBL7954846 0.89 HTR1A (0.75) HTR1A
SCHEMBL7956463 0.88 HTR1A (0.77) HTR1A
SCHEMBL9696788 0.87 HTR1A (0.79) HTR1A
SCHEMBL8544143 0.87 HTR1A (0.73) HTR1A
SCHEMBL17242081 0.87 HTR1A (0.61) HTR1A
SCHEMBL17242348 0.87 HTR1A (0.61) HTR1A

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-0496222-B1 Indole derivatives MERCK PATENT GMBH (DE) 1998-09-09 EP disclosed
EP-0496222-A1 Indole derivatives MERCK PATENT GmbH (DE) 1992-07-29 EP disclosed