SCHEMBL18927446

SCHEMBL18927446

C=C(N1CCCC1c1ccc(F)cc1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 4/20 0.50
▸ CCNC P24863 3/20 0.44
▸ CDK8 P49336 3/20 0.44
▸ TRPA1 O75762 3/20 0.43
▸ ROCK2 O75116 1/20 0.40
▸ PRKCZ Q05513 1/20 0.39
▸ SCD5 Q86SK9 1/20 0.39
▸ PDE5A O76074 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL24133812 0.82 RIPK1 (0.74) RIPK1CCNCCDK8TRPA1ROCK2
SCHEMBL18927447 0.82 RIPK1 (0.44) RIPK1CCNCCDK8TRPA1ROCK2
SCHEMBL18406185 0.77 RIPK1 (0.51) RIPK1CCNCCDK8TRPA1ROCK2
SCHEMBL17747356 0.77 RIPK1 (0.51) RIPK1CCNCCDK8TRPA1ROCK2
SCHEMBL17454945 0.77 CCNC (0.52) RIPK1CCNCCDK8TRPA1ROCK2
SCHEMBL28149188 0.76 TRPA1 (0.53) RIPK1CCNCCDK8TRPA1ROCK2
SCHEMBL18927531 0.76 CCNC (0.42) RIPK1CCNCCDK8TRPA1ROCK2
SCHEMBL17142311 0.75 TRPA1 (0.51) RIPK1CCNCCDK8TRPA1ROCK2
SCHEMBL18927590 0.75 RIPK1 (0.67) RIPK1
SCHEMBL18927573 0.73 RIPK1 (0.61) RIPK1CCNCCDK8SCD5

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-2017096301-A1 ISOXAZOLIDINE DERIVED INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE 1 (RIPK 1) DENALI THERAPEUTICS INC. (US) 2017-06-08 — — WO disclosed
Send feedback