SCHEMBL9839144

SCHEMBL9839144

CCCC[Sn](CCCC)(CCCCc1ccc(F)cc1)c1cnc2n1CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
HTR1A P08908 6/20 0.36
HTR2A P28223 6/20 0.36
DRD3 P35462 6/20 0.36
DRD2 P14416 5/20 0.36
DRD4 P21917 4/20 0.36
HTR7 P34969 4/20 0.36
DRD1 P21728 3/20 0.36
DRD5 P21918 3/20 0.36
SLC6A4 P31645 3/20 0.36
HTR2C P28335 2/20 0.36
MAPT P10636 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SCN5A Q14524 1/20 0.33
SLC27A1 Q6PCB7 1/20 0.33
HRH1 P35367 2/20 0.33
ADRA2C P18825 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RAB9A P51151 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL9840193 0.87 CASP3 (0.41) SIGMAR1MAPTHRH3RAB9A
SCHEMBL9698919 0.68 TGFBR1 (0.44) RAB9A
SCHEMBL30928708 0.66 NPC1 (0.35) SIGMAR1HTR2AHRH3RAB9AHTR2B
SCHEMBL1430472 0.64 ALDH1A1 (0.59) HTR2ASLC6A4HTR2CMAPTADRA2C
SCHEMBL9010525 0.64 FFAR1 (0.41) HTR7MAPT
SCHEMBL21410505 0.63 P2RX7 (0.36)
SCHEMBL2615717 0.63 ESR1 (0.63) HTR2ASLC6A4HTR2CADRA2C
SCHEMBL9717309 0.63 ESR1 (0.63) HTR2ASLC6A4HTR2CADRA2C
SCHEMBL13564082 0.63 ESR1 (0.63) HTR2ASLC6A4HTR2CADRA2C
SCHEMBL3941872 0.63 ESR1 (0.63) HTR2ASLC6A4HTR2CADRA2C

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-5002941-A Antiarthritic agents, arachidonic acid metabolism SMITHKLINE BEECHAM CORPORATION (US) 1991-03-26 US disclosed