SCHEMBL6805445

SCHEMBL6805445

O=[C]Cc1ccc(CCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.57
HTR6 P50406 2/20 0.57
CYP3A4 P08684 2/20 0.57
HTR2C P28335 2/20 0.57
MPO P05164 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2A6 P11509 1/20 0.57
NFKB1 P19838 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR7 P34969 1/20 0.57
CTSK P43235 1/20 0.57
CYP2A13 Q16696 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
PMP22 Q01453 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.50
AHR P35869 1/20 0.50

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
SCHEMBL8524609 0.82 MEN1 (0.70) HTR2AHTR6CYP3A4HTR2CMPO
SCHEMBL347688 0.82 MEN1 (0.62) HTR2AHTR6CYP3A4HTR2CMPO
SCHEMBL4985934 0.80 HTR2A (0.77) HTR2AHTR6CYP3A4HTR2CMPO
SCHEMBL18826588 0.80 KMT2A (0.60) HTR2AHTR6CYP3A4HTR2CMPO
SCHEMBL10969880 0.80 GFER (0.65) HTR2AHTR6CYP3A4HTR2CMPO
SCHEMBL31744670 0.80 HTR2A (0.57) HTR2AHTR6CYP3A4HTR2CMPO
SCHEMBL348936 0.79 HTR2A (0.61) HTR2AHTR6CYP3A4HTR2CMPO
Tryptamine SCHEMBL27810114 0.78 HTR2A (0.86) HTR2AHTR6CYP3A4HTR2CMPO
SCHEMBL31744700 0.77 PKM (0.75) HTR2AHTR6CYP3A4HTR2CMPO
SCHEMBL735580 0.76 HTR2A (0.57) HTR2AHTR6CYP3A4HTR2CMPO

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-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed