SCHEMBL6584948

SCHEMBL6584948

Cc1cc(C2=CCNCC2)ccc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.65
HTR2C P28335 9/20 0.63
QDPR P09417 3/20 0.51
HTR6 P50406 2/20 0.51
HTR7 P34969 1/20 0.51
KHK P50053 2/20 0.46
TGFBR1 P36897 1/20 0.45
ACVR1 Q04771 1/20 0.45
KCNH2 Q12809 1/20 0.45
HTR2A P28223 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
SCHEMBL6589127 0.83 SIGMAR1 (0.50) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL6586935 0.83 QDPR (0.50) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL3961889 0.82 SIGMAR1 (0.65) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL6585457 0.82 HTR2C (0.76) SIGMAR1HTR2CQDPR
SCHEMBL6586294 0.82 QDPR (0.65) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL14956908 0.81 QDPR (0.60) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL3899585 0.81 SIGMAR1 (0.92) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL415545 0.80 SIGMAR1 (1.00) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL6584726 0.80 QDPR (0.46) SIGMAR1HTR2CQDPRHTR6KHK
SCHEMBL6586606 0.79 HTR2C (0.60) SIGMAR1HTR2CQDPRHTR6HTR7

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 4 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
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed