SCHEMBL8943310

SCHEMBL8943310

COc1ccc2[nH]c(=O)n(CCCCN3CCN(c4ccccc4OC)CC3)c2c1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.81
HTR1A P08908 6/20 0.78
ADRA2A P08913 2/20 0.60
ADRA2B P18089 2/20 0.60
DRD2 P14416 2/20 0.60
DRD3 P35462 2/20 0.60
ADRB2 P07550 1/20 0.59
ADRA2C P18825 1/20 0.59
DRD4 P21917 1/20 0.59

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
SCHEMBL8125943 0.90 HTR7 (0.81) HTR7HTR1AADRA2AADRA2BDRD2
SCHEMBL8131304 0.90 HTR7 (1.00) HTR7HTR1AADRA2AADRA2BDRD2
SCHEMBL8133693 0.89 HTR7 (0.80) HTR7HTR1AADRA2AADRA2BDRD2
SCHEMBL8128438 0.88 HTR7 (1.00) HTR7HTR1AADRA2AADRA2BDRD2
SCHEMBL7309594 0.87 HTR7 (0.68) HTR7HTR1AADRA2AADRA2BDRD2
SCHEMBL8136613 0.87 HTR7 (0.76) HTR7HTR1AADRA2AADRA2BDRD2
SCHEMBL8134874 0.83 HTR7 (1.00) HTR7HTR1AADRA2AADRA2BDRD2
SCHEMBL10637877 0.82 ADRA2A (0.81) HTR7HTR1AADRA2AADRA2BDRD2
SCHEMBL7300518 0.82 HTR7 (0.77) HTR7HTR1AADRA2AADRA2BDRD2
SCHEMBL3406831 0.82 ADRA2A (0.88) HTR7HTR1AADRA2AADRA2BDRD2

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-5576318-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-11-19 US disclosed