SCHEMBL6422243

SCHEMBL6422243

O=C1Nc2cccc3c2C1(CCCCN1CCN(C2CCc4ccccc42)CC1)CCC3

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 20/20 0.75
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
HTR2B P41595 1/20 0.65

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
SCHEMBL6422046 0.97 HTR7 (0.74) HTR7HTR2AHTR2CHTR2B
SCHEMBL7650647 0.97 HTR7 (0.74) HTR7HTR2AHTR2CHTR2B
SCHEMBL6423342 0.96 HTR7 (0.75) HTR7HTR2AHTR2CHTR2B
SCHEMBL6421333 0.91 HTR7 (0.68) HTR7HTR2AHTR2CHTR2B
SCHEMBL6424106 0.90 HTR7 (0.71) HTR7HTR2AHTR2CHTR2B
SCHEMBL6425780 0.89 HTR7 (0.67) HTR7HTR2AHTR2CHTR2B
SCHEMBL6421379 0.87 HTR7 (0.67) HTR7HTR2AHTR2CHTR2B
SCHEMBL6422098 0.85 HTR7 (0.72) HTR7HTR2AHTR2CHTR2B
SCHEMBL6424239 0.85 HTR7 (0.69) HTR7HTR2AHTR2CHTR2B
SCHEMBL6424392 0.84 HTR7 (0.71) HTR7HTR2AHTR2CHTR2B

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-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed