SCHEMBL19622378

SCHEMBL19622378

Cc1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 20/20 0.71
SIGMAR1 Q99720 20/20 0.71
HRH1 P35367 5/20 0.58
HRH2 P25021 4/20 0.58
HTR2C P28335 4/20 0.58
HRH3 Q9Y5N1 4/20 0.58
HTR1E P28566 3/20 0.58
ADRA2A P08913 3/20 0.58
ADRA2B P18089 3/20 0.58
HTR1A P08908 3/20 0.58
HTR2A P28223 3/20 0.58
HTR2B P41595 3/20 0.58
HTR1B P28222 2/20 0.58
ADRA2C P18825 1/20 0.58
DRD1 P21728 1/20 0.58
SLC6A4 P31645 1/20 0.58
DRD3 P35462 2/20 0.57
CHRM5 P08912 2/20 0.56
ADRA1D P25100 2/20 0.56
SLC6A2 P23975 1/20 0.56

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
SCHEMBL19249448 0.90 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL3187484 0.88 TMEM97 (0.70) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL30645345 0.88 TMEM97 (0.70) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL31173403 0.86 TMEM97 (0.68) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL324228 0.86 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL18530311 0.85 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL30031624 0.85 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL1027550 0.85 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL27041869 0.85 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL21912932 0.85 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH2HTR2C

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
WO-2020056008-A1 COMPOSITIONS FOR THE TREATMENT OF DISEASE WITH IMMUNE STIMULATORY CONJUGATES SILVERBACK THERAPEUTICS, INC. (US) 2020-03-19 WO disclosed
EP-2906552-B1 GUANIDINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-22 EP disclosed