SCHEMBL6828091

SCHEMBL6828091

O=C(Nc1ccccc1CCCCF)NC1CCN(c2cccc3cnccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.43
CCR3 P51677 2/20 0.43
ROCK2 O75116 3/20 0.41
CCR2 P41597 2/20 0.41
ROCK1 Q13464 2/20 0.41
PAK1 Q13153 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL2250298 0.76 TRPV1 (0.43) TRPV1ROCK2
SCHEMBL13841567 0.71 ROCK2 (0.73) ROCK2CCR2ROCK1SIGMAR1
SCHEMBL1351416 0.71 TRPV1 (0.69) TRPV1
SCHEMBL1351421 0.71 TRPV1 (0.69) TRPV1
SCHEMBL6923155 0.70 ROCK2 (0.42) TRPV1ROCK2CCR2ROCK1MTNR1A
SCHEMBL14860966 0.70 EPHX1 (0.70) TRPV1ROCK2ROCK1
SCHEMBL13595613 0.69 EPHX1 (0.72) TRPV1
SCHEMBL4780302 0.67 TRPV1 (0.52) TRPV1KDM4E
SCHEMBL5659541 0.67 TRPV1 (0.56) TRPV1
SCHEMBL12135952 0.66 TRPV1 (0.62) TRPV1

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
WO-2004024710-A1 UREA COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed