SCHEMBL28439243

SCHEMBL28439243

c1ccc2cc3c(C4Cc5cccc6cccc4c56)cccc3cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.38
MTNR1B P49286 8/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ERBB2 P04626 1/20 0.36
CYP1A2 P05177 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
IDO1 P14902 3/20 0.36
OPRM1 P35372 4/20 0.34
OPRL1 P41146 4/20 0.34
OPRK1 P41145 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 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
SCHEMBL13004830 0.79 MTNR1A (0.40) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL13004811 0.79 NQO2 (0.41) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL13004786 0.78 IDO1 (0.39) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL13004785 0.76 CYP1A2 (0.40) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL5374308 0.76 FGFR1 (0.47) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL28371568 0.75 MTNR1A (0.43) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL13004781 0.75 MAPT (0.47) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL21221316 0.74 FGFR1 (0.40) MTNR1AMTNR1BADRA2AADRA2BADRA2C
SCHEMBL29853558 0.73 GID4 (0.52) ADRA2AIDO1OPRM1KDM4EALDH1A1
SCHEMBL27858072 0.73 MTNR1A (0.35) 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-108884213-B Block polymer and polymer electrolyte membrane comprising the same 株式会社LG化学 2020-08-18 CN disclosed