SCHEMBL9749537

SCHEMBL9749537

C=CCc1cc(F)ccc1S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 2/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR1E P28566 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL4189812 0.82 MEN1 (0.32) POLBALDH1A1CYP1A2CYP2A6MEN1
SCHEMBL12833025 0.81 PSEN1 (0.40) GABRA1GABRB2POLBHTR1AADRA2A
SCHEMBL20651301 0.78 GABRA1 (0.41) GABRA1GABRB2POLBSLC6A2HTR2A
SCHEMBL30660375 0.78 ALDH1A1 (0.45) GABRA1GABRB2POLBHTR1AADRA2A
SCHEMBL2445931 0.78 GABRA1 (0.66) GABRA1GABRB2POLBLMNASRD5A1
SCHEMBL1269438 0.78 ALDH1A1 (0.45) GABRA1GABRB2POLBHTR1AADRA2A
SCHEMBL12833031 0.77 IDO1 (0.48) GABRA1GABRB2HTR2AHTR2CLMNA
SCHEMBL8257640 0.76 GABRA1 (0.40) GABRA1GABRB2NPC1RAB9APOLB
SCHEMBL17006146 0.76 GABRA1 (0.40) GABRA1GABRB2NPC1RAB9APOLB
SCHEMBL28253433 0.76 ELANE (0.38) GABRA1GABRB2POLBSRD5A1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5096914-A Hypotensive agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
US-5028711-A Hypotensive Agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed