SCHEMBL6586606

SCHEMBL6586606

FC(F)(F)c1cc(C2=CCNCC2)ccc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.60
SIGMAR1 Q99720 2/20 0.59
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
QDPR P09417 3/20 0.48
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
P2RY14 Q15391 1/20 0.47
HTR6 P50406 2/20 0.43
HTR7 P34969 1/20 0.43
HTR2A P28223 1/20 0.42

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
SCHEMBL3961889 0.82 SIGMAR1 (0.65) HTR2CSIGMAR1QDPRMMP2MMP3
SCHEMBL3382904 0.80 HTR2C (0.58) HTR2CSIGMAR1PDE3BPDE3AQDPR
SCHEMBL27007790 0.80 PDE3B (0.53) HTR2CSIGMAR1PDE3BPDE3AQDPR
SCHEMBL6584948 0.79 SIGMAR1 (0.65) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL186263 0.79 HTR2C (0.57) HTR2CSIGMAR1PDE3BPDE3AQDPR
Hydrochloric Acid SCHEMBL1961556 0.78 HTR2C (0.58) HTR2CSIGMAR1PDE3BPDE3AQDPR
SCHEMBL5541715 0.77 HTR2C (0.58) HTR2CSIGMAR1PDE3BPDE3AQDPR
SCHEMBL3899585 0.77 SIGMAR1 (0.92) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL415545 0.77 SIGMAR1 (1.00) HTR2CSIGMAR1QDPRHTR6HTR7
Trifluoroacetic Acid SCHEMBL30746013 0.76 PDE3B (0.50) HTR2CSIGMAR1PDE3BPDE3AQDPR

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