SCHEMBL10909385

SCHEMBL10909385

CC(C)Oc1cccc2c1NCCC2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.56
HTR2C P28335 4/20 0.40
HTR1A P08908 3/20 0.40
HTR1D P28221 3/20 0.40
HTR7 P34969 3/20 0.40
HTR5A P47898 3/20 0.40
NISCH Q9Y2I1 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
PARP1 P09874 1/20 0.38
REN P00797 1/20 0.36
S1PR1 P21453 1/20 0.34
MCHR1 Q99705 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL9829116 0.88 SRC (0.54) SRCHTR2CHTR1AHTR1DHTR7
SCHEMBL10913727 0.84 SRC (0.56) SRCPARP1REN
SCHEMBL2333682 0.81 SRC (0.60) SRCHTR2CHTR5APARP1REN
SCHEMBL18355372 0.77 SRC (0.56) SRCPARP1REN
SCHEMBL10911476 0.77 SRC (0.56) SRCHTR2CADRA2AADRA2BADRA2C
SCHEMBL7029485 0.76 SRC (0.58) SRCPARP1REN
SCHEMBL13439627 0.76 SRC (0.51) SRCPARP1
SCHEMBL28092163 0.75 SRC (0.61) SRCPARP1HTR2A
SCHEMBL9910075 0.75 SRC (0.49) SRCHTR2CHTR2B
SCHEMBL16174360 0.74 SRC (0.42) SRCPARP1

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-0173208-A1 Tetrahydroquinolin-1-yl-carbonyl-imidazole derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-05 EP disclosed