SCHEMBL7649102

SCHEMBL7649102

[CH2]CCc1cc(-c2ccccc2)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MPI P34949 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGES O14684 1/20 0.35
TACR3 P29371 2/20 0.33
CYP1A2 P05177 2/20 0.33
HTR2A P28223 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2A6 P11509 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
SCHEMBL7647401 0.90 HTR6 (0.38) HTR6MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL7655581 0.88 HTR6 (0.37) HTR6MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL7649355 0.87 CHRNA7 (0.37) HTR6MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL7650707 0.85 HTR6 (0.41) HTR6MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL8054347 0.82 PRKCZ (0.41) HTR6MTNR1AMTNR1BCYP1A2HTR2A
SCHEMBL10676621 0.79 MEN1 (0.48) HTR6MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL27550729 0.78 MAPT (0.46) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL10672207 0.78 L3MBTL1 (0.48) HTR6MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL15345674 0.78 HTR2A (0.48) HTR6ALDH1A1KDM4EMEN1MAPT
SCHEMBL7364107 0.77 TRPM4 (0.43) ALDH1A1MAPTHPGDTDP1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed