SCHEMBL18927572

SCHEMBL18927572

C=C(N1CCCC1c1ccccc1)C(C)(C)C#N

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 5/20 0.59
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA7 P36544 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ SCD5 Q86SK9 6/20 0.42
▸ EPHX2 P34913 2/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ SCD O00767 2/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40

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
SCHEMBL18927573 0.84 RIPK1 (0.61) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18927590 0.77 RIPK1 (0.67) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18927575 0.77 RIPK1 (0.59) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18927592 0.75 RIPK1 (0.56) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL12935925 0.75 RIPK1 (1.00) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18927591 0.74 RIPK1 (0.55) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19217206 0.74 RIPK1 (0.62) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6960066 0.72 RIPK1 (0.69) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18927596 0.72 RIPK1 (0.54) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18927446 0.72 RIPK1 (0.50) RIPK1SCD5CCNCCDK8

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
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