SCHEMBL24799544

SCHEMBL24799544

C=CCCN(CCC)Cc1ccc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.44
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 3/20 0.40
GPR55 Q9Y2T6 2/20 0.40
THRB P10828 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
SLC6A4 P31645 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL23419206 0.82 PYCR1 (0.50) PYCR1MAPTALDH1A1POLBGPR55
SCHEMBL24649608 0.80 HRH3 (0.55) PYCR1MAPTKCNH2HRH3
SCHEMBL20428088 0.75 HTR1A (0.45) MAPTALDH1A1POLBGPR55THRB
SCHEMBL14174917 0.75 PYCR1 (0.51) PYCR1MAPTALDH1A1POLBGPR55
SCHEMBL12802092 0.73 PYCR1 (0.39) PYCR1MAPTALDH1A1GAASLC6A4
SCHEMBL14224544 0.72 ALDH1A1 (0.48) PYCR1MAPTALDH1A1POLBGPR55
SCHEMBL20428092 0.71 MAPT (0.51) MAPTALDH1A1POLBGPR55THRB
SCHEMBL12802432 0.70 TLR8 (0.40) PYCR1MAPTALDH1A1GAASLC6A4
SCHEMBL24344912 0.70 TSHR (0.50) ALDH1A1POLBHRH3
SCHEMBL10899219 0.69 GAA (0.44) PYCR1MAPTALDH1A1GAA

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-3464277-B1 PEGYLATED CARFILZOMIB COMPOUNDS AMGEN INC (US) 2022-12-28 EP disclosed