SCHEMBL6586294

SCHEMBL6586294

COc1cc(C2=CCNCC2)ccc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.65
SIGMAR1 Q99720 2/20 0.59
HTR2C P28335 8/20 0.58
TGFBR1 P36897 1/20 0.57
ACVR1 Q04771 1/20 0.57
KCNH2 Q12809 1/20 0.57
TLR9 Q9NR96 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
SUV39H2 Q9H5I1 1/20 0.45
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45

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
SCHEMBL6587898 0.87 QDPR (0.60) QDPRSIGMAR1HTR2CTGFBR1ACVR1
SCHEMBL7305529 0.83 QDPR (0.76) QDPRSIGMAR1HTR2CTGFBR1ACVR1
SCHEMBL6590672 0.82 QDPR (0.54) QDPRSIGMAR1HTR2CTGFBR1ACVR1
SCHEMBL6584948 0.82 SIGMAR1 (0.65) QDPRSIGMAR1HTR2CTGFBR1ACVR1
SCHEMBL17548153 0.82 QDPR (0.70) QDPRSIGMAR1HTR2CTGFBR1ACVR1
SCHEMBL12479331 0.80 QDPR (0.72) QDPRSIGMAR1HTR2CTGFBR1ACVR1
SCHEMBL10407313 0.79 QDPR (1.00) QDPRSIGMAR1HTR2CTGFBR1ACVR1
SCHEMBL3961889 0.79 SIGMAR1 (0.65) QDPRSIGMAR1HTR2CHTR7HTR6
SCHEMBL27553177 0.79 QDPR (0.70) QDPRSIGMAR1HTR2CTGFBR1ACVR1
SCHEMBL3899585 0.77 SIGMAR1 (0.92) QDPRSIGMAR1HTR2CHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed