SCHEMBL18540658

SCHEMBL18540658

C[C@@H]1C[C@@H]2[C@H](C)Cc3ccccc3N2[C@@H]1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.44
HTR2C P28335 5/20 0.44
HTR2B P41595 4/20 0.44
NOTUM Q6P988 2/20 0.39
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ROCK1 Q13464 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 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
SCHEMBL18540665 0.86 HTR2A (0.44) HTR2AHTR2CHTR2BNOTUMADRA2A
SCHEMBL28217680 0.73 HTR2A (0.44) HTR2AHTR2CHTR2BNOTUMADRA2A
SCHEMBL21172504 0.71 NOTUM (0.43) HTR2AHTR2CHTR2BNOTUMADRA2A
SCHEMBL21172724 0.71 NOTUM (0.43) HTR2AHTR2CHTR2BNOTUMADRA2A
SCHEMBL787596 0.71 NOTUM (0.43) HTR2AHTR2CHTR2BNOTUMADRA2A
SCHEMBL28217735 0.69 NOTUM (0.42) HTR2AHTR2CHTR2BNOTUMADRA2A
SCHEMBL12340979 0.68 NOTUM (0.41) HTR2AHTR2CHTR2BNOTUMADRA2A
SCHEMBL17264304 0.67 CHRM2 (0.42) HTR2AHTR2CHTR2BNOTUMKMT2A
SCHEMBL17264305 0.67 CHRM2 (0.42) HTR2AHTR2CHTR2BNOTUMKMT2A
SCHEMBL24315481 0.66 HTR2A (0.60) HTR2AHTR2CHTR2BNOTUMLMNA

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-20170054083-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-23 US disclosed