SCHEMBL6923155

SCHEMBL6923155

CCCC(F)OC(=O)NC1CCN(c2cccc3cnccc23)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.42
ROCK1 Q13464 7/20 0.42
MTNR1A P48039 8/20 0.41
MTNR1B P49286 8/20 0.41
P2RX7 Q99572 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
CCR2 P41597 1/20 0.38
RPS6KB1 P23443 1/20 0.37

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 0.72 TRPV1 (0.43) ROCK2TRPV1
SCHEMBL6828091 0.70 TRPV1 (0.43) ROCK2ROCK1MTNR1AMTNR1BTRPV1
SCHEMBL27649150 0.69 CDK8 (0.47)
SCHEMBL5802241 0.67 KDM4E (0.48) P2RX7TRPV1
SCHEMBL14147228 0.67 CHRM1 (0.49) ROCK2P2RX7TRPV1
SCHEMBL6924475 0.67 PRKCB (0.46) ROCK2ROCK1CCR2
SCHEMBL6924480 0.67 PRKCB (0.46) ROCK2ROCK1CCR2
SCHEMBL16111141 0.66 DRD4 (0.52)
SCHEMBL16111150 0.66 PHGDH (0.45) ROCK2ROCK1P2RX7
SCHEMBL3819469 0.65 MAPK8 (0.60)

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