SCHEMBL15577014

SCHEMBL15577014

COc1cccc2c1C(C)CCC2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
HTR1A P08908 10/20 0.47
DRD3 P35462 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44

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
SCHEMBL15577211 0.89 DRD2 (0.55) DRD2HTR1ADRD3
SCHEMBL7919530 0.85 ACHE (0.37) DRD2HTR1A
SCHEMBL29320876 0.84 DRD2 (0.40) DRD2HTR1A
SCHEMBL266635 0.81 DRD2 (0.50) DRD2HTR1ADRD3HCRTR1HCRTR2
SCHEMBL29428654 0.80 PDE7A (0.39)
SCHEMBL13198514 0.80 PDE7A (0.39)
SCHEMBL20478729 0.79 HCRTR1 (0.44) DRD2HTR1AHCRTR1HCRTR2
SCHEMBL10192239 0.79 DRD2 (0.43) DRD2HTR1ADRD3HCRTR1HCRTR2
SCHEMBL9150411 0.79 ACHE (0.52) DRD2HTR1ADRD3
SCHEMBL10246358 0.79 DRD2 (0.49) DRD2HTR1A

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-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed