SCHEMBL9697640

SCHEMBL9697640

COC(=O)Oc1ccc2[nH]cc(CCCCN3CCN(c4ccccc4F)CC3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.59
SLC6A4 P31645 1/20 0.59
HTR7 P34969 1/20 0.59
KCNH2 Q12809 1/20 0.59
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
ADRA1D P25100 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
DRD2 P14416 1/20 0.57
HTR2A P28223 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL9697473 0.91 HTR1A (0.56) HTR1ASLC6A4HTR7KCNH2ADRA2A
SCHEMBL8543575 0.90 ADRA2A (0.56) HTR1ASLC6A4HTR7KCNH2ADRA2A
SCHEMBL9697906 0.90 HTR1A (0.67) HTR1ASLC6A4HTR7KCNH2ADRA2A
SCHEMBL8539000 0.89 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9696357 0.87 ADRA2A (0.69) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL9698233 0.86 ADRA2A (0.61) HTR1ASLC6A4ADRA2AADRA2BADRA2C
SCHEMBL9696706 0.85 ADRA2A (0.80) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9697761 0.84 ADRA2A (0.65) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL9697746 0.84 ADRA2A (0.70) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL9698941 0.84 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A

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
EP-0496222-A1 Indole derivatives MERCK PATENT GmbH (DE) 1992-07-29 EP disclosed