SCHEMBL9253345

SCHEMBL9253345

N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccccc4F)CC3)c2c1.O=C(O)c1ccc2[nH]cc(CCCCN3CCN(c4cccc(F)c4)CC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.59

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
SCHEMBL9263196 0.94 HTR1A (0.65) HTR1A
SCHEMBL9261632 0.88 SLC6A4 (0.63) HTR1A
SCHEMBL9617001 0.86 KDM4E (0.61) HTR1A
SCHEMBL9698913 0.86 HTR1A (0.70) HTR1A
SCHEMBL9258263 0.86 HTR1A (0.70) HTR1A
SCHEMBL7961173 0.86 HTR1A (0.70) HTR1A
SCHEMBL9262584 0.85 HTR1A (0.65) HTR1A
SCHEMBL9262559 0.85 HTR1A (0.67) HTR1A
SCHEMBL9264798 0.84 HTR6 (0.64) HTR1A
SCHEMBL9260750 0.84 HTR1A (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5418237-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-05-23 US disclosed