SCHEMBL12680656

SCHEMBL12680656

CC(C)(C)CCCN1CCc2ccccc2C1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.55
HTR1A P08908 6/20 0.55
HTR7 P34969 6/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR2A P28223 5/20 0.54
HTR2B P41595 5/20 0.54
DRD2 P14416 4/20 0.54
HRH1 P35367 4/20 0.54
SLC6A4 P31645 2/20 0.54
HTR5A P47898 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTR2C P28335 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
NCOR2 Q9Y618 1/20 0.51

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
SCHEMBL12680657 0.88 ALDH1A1 (0.58) DRD3HTR1AHTR7TDP1HTR2B
SCHEMBL30296953 0.81 ALDH1A1 (0.64) DRD3HTR1AHTR7TDP1HTR2A
SCHEMBL155413 0.81 ALDH1A1 (0.64) DRD3HTR1AHTR7TDP1HTR2A
SCHEMBL29144139 0.81 HDAC3 (0.56) DRD3HTR1AHTR7HTR2AHTR2B
SCHEMBL589583 0.80 ALDH1A1 (0.72) DRD3HTR1AHTR7TDP1HTR2A
SCHEMBL6097277 0.80 HTR7 (0.59) DRD3HTR1AHTR7HTR2AHTR2B
SCHEMBL12680647 0.80 KDM4E (0.57) DRD3HTR1AHTR7HTR2AHTR2B
SCHEMBL23001347 0.79 ALDH1A1 (0.75) DRD3HTR1AHTR7HTR2AHTR2B
SCHEMBL11038187 0.79 ALDH1A1 (0.75) DRD3HTR1AHTR7HTR2AHTR2B
SCHEMBL910697 0.79 ALDH1A1 (0.75) DRD3HTR1AHTR7HTR2AHTR2B

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-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed