SCHEMBL28608485

SCHEMBL28608485

[c]1cccc(C2Cc3cccc4cccc2c34)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.37
MTNR1B P49286 9/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
KDM4E B2RXH2 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL4915638 0.84 MTNR1A (0.38) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL5374308 0.82 FGFR1 (0.47) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL28371568 0.81 MTNR1A (0.43) MTNR1AMTNR1BADRA2AADRA2BADRA2C
Acenaphthene SCHEMBL28276761 0.76 ADRA2A (0.43) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL28279325 0.75 MTNR1A (0.40) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL4915634 0.75 MTNR1A (0.40) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL27541347 0.75 MTNR1A (0.35) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL27514161 0.75 ADRA2A (0.35) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL27504451 0.74 MEN1 (0.42) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL27544980 0.74 MEN1 (0.42) MTNR1AMTNR1BADRA2AADRA2BADRA2C

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
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed