SCHEMBL20123830

SCHEMBL20123830

CC1c2ccccc2CNc2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.38
HTR2A P28223 3/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRCP P42785 1/20 0.35
CHRNA7 P36544 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIN1 Q13526 2/20 0.32
HTR2B P41595 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
PGR P06401 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
SCHEMBL4253259 0.82 ALOX15 (0.47) HTR2CHTR2AALDH1A1MAPTALOX15
SCHEMBL4263893 0.82 HTR2A (0.38) HTR2CHTR2AALDH1A1MAPTALOX15
SCHEMBL18761542 0.72 ALOX15 (0.47) HTR2CHTR2AALDH1A1MAPTALOX15
SCHEMBL10447051 0.71 SLC6A2 (0.39) HTR2CHTR2AALDH1A1GAAHTR2B
SCHEMBL10446442 0.70 ALDH1A1 (0.43) HTR2CHTR2AALDH1A1MAPTGAA
SCHEMBL2258698 0.68 HTR2C (0.53) HTR2CHTR2AALDH1A1CHRNA7CA1
SCHEMBL19593081 0.68 ALOX15 (0.43) HTR2CHTR2AALDH1A1MAPTALOX15
SCHEMBL16385859 0.68 NR3C2 (0.43) HTR2CHTR2AALDH1A1GAAHTR2B
SCHEMBL10446495 0.67 HSD17B3 (0.45) HTR2CHTR2AALDH1A1MAPTGAA
SCHEMBL10447311 0.67 HTR2C (0.39) HTR2CHTR2AHTR2B

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-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed