SCHEMBL6158630

SCHEMBL6158630

COC(=O)c1ccc2c3c1CCCC3(CCCCC1CC(c3ccccc3)=CCN1)C(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 20/20 0.54
HTR1A P08908 3/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HTR6 P50406 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL6159295 0.91 HTR7 (0.64) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL6156966 0.90 HTR7 (0.64) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL6159453 0.88 HTR7 (0.63) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL6157922 0.86 HTR7 (0.54) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL7658835 0.86 HTR7 (0.62) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL6158082 0.84 HTR7 (0.62) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL6161434 0.80 HTR7 (0.60) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL6159605 0.80 HTR7 (0.59) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL6158634 0.79 HTR7 (0.84) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL6159125 0.78 HTR7 (0.50) HTR7HTR1A

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-0937715-B1 TETRAHYDROBENZINDOLE COMPOUNDS MEIJI SEIKA KAISHA (JP) 2005-06-01 EP disclosed
US-6355642-B1 PSYCHOLOGICAL DISORDERS AND BRAIN DISORDERS MEIJI SEIKA KAISHA, LTD. (JP) 2002-03-12 US disclosed
EP-0937715-A1 TETRAHYDROBENZINDOLE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1999-08-25 EP disclosed