SCHEMBL18927575

SCHEMBL18927575

C=C(CC(C)(C)C)N1CCCC1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

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
▸ SCD O00767 2/20 0.44
▸ EPHX2 P34913 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ HSD11B1 P28845 1/20 0.41
▸ SCD5 Q86SK9 3/20 0.41
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ PPID Q08752 1/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ ADAM17 P78536 1/20 0.39

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
SCHEMBL18927447 0.86 RIPK1 (0.44) RIPK1SCD5CCNCCDK8
SCHEMBL23139723 0.82 RIPK1 (0.43) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18927573 0.81 RIPK1 (0.61) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18927572 0.77 RIPK1 (0.59) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL20011760 0.76 CFB (0.43) RIPK1PRMT5WDR77
SCHEMBL18927592 0.75 RIPK1 (0.56) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL12935925 0.75 RIPK1 (1.00) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17881895 0.74 RIPK1 (0.84) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17881977 0.74 RIPK1 (0.84) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18927591 0.74 RIPK1 (0.55) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7

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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