SCHEMBL9266136

SCHEMBL9266136

COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(C(=O)O)cc23)CC1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.69
SLC6A4 P31645 1/20 0.69
HTR7 P34969 1/20 0.69
KCNH2 Q12809 1/20 0.69
ADRA2A P08913 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
ADRA1D P25100 1/20 0.62
ADRA1A P35348 1/20 0.62
ADRA1B P35368 1/20 0.62

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
SCHEMBL9281902 0.93 HTR1A (0.61) HTR1ASLC6A4HTR7KCNH2ADRA2A
SCHEMBL9261633 0.92 SLC6A4 (0.68) HTR1ASLC6A4HTR7KCNH2ADRA2A
SCHEMBL8543460 0.92 ADRA2A (0.73) HTR1ASLC6A4HTR7KCNH2ADRA2A
SCHEMBL9699224 0.90 ADRA2A (0.66) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL9698938 0.88 HTR1A (0.67) HTR1ASLC6A4HTR7KCNH2ADRA2A
SCHEMBL9617001 0.87 KDM4E (0.61) HTR1ASLC6A4HTR7KCNH2ADRA1A
SCHEMBL9256046 0.87 ADRA2A (0.62) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL9368593 0.86 HTR1A (0.92) HTR1ASLC6A4HTR7KCNH2ADRA1A
SCHEMBL9697906 0.86 HTR1A (0.67) HTR1ASLC6A4HTR7KCNH2ADRA2A
SCHEMBL8537712 0.86 MPO (0.67) SLC6A4HTR7ADRA2AADRA2BADRA2C

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-5418237-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-05-23 US disclosed