SCHEMBL7656695

SCHEMBL7656695

COC(CC[C@@]12CCCc3cccc(c31)NC2=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 20/20 0.52
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
HTR1A P08908 2/20 0.46
HTR6 P50406 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL7653017 0.79 HTR7 (0.58) HTR7HTR2AHTR2CHTR2BHTR1A
SCHEMBL7653089 0.78 HTR7 (0.56) HTR7HTR2AHTR2CHTR2BHTR1A
SCHEMBL7654605 0.77 HTR7 (0.61) HTR7HTR2AHTR2CHTR2BHTR1A
SCHEMBL7652363 0.77 HTR7 (0.61) HTR7HTR2AHTR2CHTR2BHTR1A
SCHEMBL7651805 0.77 HTR7 (0.53) HTR7HTR2AHTR2CHTR2B
SCHEMBL7657557 0.76 HTR7 (0.58) HTR7HTR2AHTR2CHTR2BHTR1A
SCHEMBL7653918 0.76 HTR7 (0.51) HTR7HTR2AHTR2CHTR2B
SCHEMBL6157803 0.75 HTR7 (0.59) HTR7HTR2AHTR2CHTR2BHTR1A
SCHEMBL7658622 0.74 HTR7 (0.64) HTR7HTR2AHTR2CHTR2BHTR1A
SCHEMBL7659700 0.74 HTR7 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407112-B1 2A,3,4,5-TETRAHYDRO-1H-BENZ(CD)INDOL-2-ONE DERIVATIVES; 5-HYDROXYTRYPTAMINE AGONISTS; SLEEP, CIRCADIAN RHYTHYM, BIPOLAR, AND PSYCHOLOGICAL DISORDER TREATMENT MEIJI SEIKA KAISHA, LTD. (JP) 2002-06-18 US disclosed
EP-1081136-A1 OPTICALLY ACTIVE TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2001-03-07 EP disclosed