SCHEMBL4575164

SCHEMBL4575164

N=C(N)N1CCC1c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.44
CDK8 P49336 3/20 0.44
RIPK1 Q13546 1/20 0.41
TRPA1 O75762 1/20 0.39
SCD5 Q86SK9 1/20 0.39
ATM Q13315 1/20 0.38
NR3C2 P08235 1/20 0.36
KDM1A O60341 2/20 0.36
MAOB P27338 2/20 0.35

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
SCHEMBL17777207 0.74 CCNC (0.45) CCNCCDK8RIPK1TRPA1SCD5
SCHEMBL8957415 0.73 CCNC (0.46) CCNCCDK8RIPK1SCD5
SCHEMBL28149188 0.72 TRPA1 (0.53) CCNCCDK8RIPK1TRPA1SCD5
SCHEMBL11436917 0.72 RIPK1 (0.60) RIPK1SCD5
Hydrochloric Acid SCHEMBL16610587 0.72 MAOA (0.46) RIPK1MAOB
Hydrochloric Acid SCHEMBL16610762 0.72 MAOA (0.46) RIPK1MAOB
SCHEMBL5197715 0.72 CCNC (0.53) CCNCCDK8RIPK1TRPA1SCD5
SCHEMBL30964008 0.72 SPHK2 (0.43) RIPK1
SCHEMBL28170397 0.71 RIPK1 (0.55) RIPK1SCD5
SCHEMBL24367553 0.70 CCNC (0.51) CCNCCDK8RIPK1TRPA1SCD5

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-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO disclosed