SCHEMBL6012159

SCHEMBL6012159

NC(=O)c1cccnc1OC1CCSCC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.49
RAB9A P51151 1/20 0.47

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
SCHEMBL14615139 0.86 GRM4 (0.42) ROCK2
SCHEMBL23458839 0.86 ROCK2 (0.53) ROCK2RAB9A
SCHEMBL20646781 0.84 RAB9A (0.48) ROCK2RAB9A
SCHEMBL20646783 0.84 RAB9A (0.48) ROCK2RAB9A
SCHEMBL14334921 0.83 MKNK1 (0.54) ROCK2RAB9A
SCHEMBL8299116 0.80 CNR2 (0.48) RAB9A
SCHEMBL14334120 0.79 ROCK2 (0.48) ROCK2
SCHEMBL6012264 0.79 CNR2 (0.60) RAB9A
Hydrochloric Acid SCHEMBL4185132 0.79 CNR2 (0.47) RAB9A
SCHEMBL3673425 0.78 GRM4 (0.50) ROCK2RAB9A

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-1651640-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
WO-2005009994-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed