SCHEMBL5945877

SCHEMBL5945877

CCCN1CCC[C@@H]2c3ccccc3CC[C@H]21

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.84
DRD2 P14416 1/20 0.58
DRD3 P35462 1/20 0.58

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
SCHEMBL5945883 1.00 HTR1A (0.84) HTR1ADRD2DRD3
SCHEMBL5945879 1.00 HTR1A (0.84) HTR1ADRD2DRD3
SCHEMBL7881727 0.89 HTR1A (0.66) HTR1A
SCHEMBL20874538 0.89 HTR1A (0.66) HTR1A
SCHEMBL20874536 0.89 HTR1A (0.66) HTR1A
SCHEMBL1544813 0.87 HTR1A (0.64) HTR1A
SCHEMBL1544811 0.87 HTR1A (0.64) HTR1A
SCHEMBL1545512 0.87 HTR1A (0.64) HTR1A
SCHEMBL8168469 0.81 HTR1A (0.58) HTR1A
SCHEMBL8172160 0.81 HTR1A (0.58) 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
US-20060217394-A1 Treatment of anhedonia SILVAN S. TOMKINS INSTITUTE, INC. 2006-09-28 US disclosed
WO-2006091725-A1 TREATMENT OF ANHEDONIA THE SILVAN S. TOMKINS INSTITUTE (US) 2006-08-31 WO disclosed