SCHEMBL18927590

SCHEMBL18927590

C=C(N1CCC1c1ccccc1)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 12/20 0.67
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ POLB P06746 1/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ LMNA P02545 1/20 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
SCHEMBL17881870 0.80 RIPK1 (1.00) RIPK1POLBPRMT5WDR77LMNA
SCHEMBL19471151 0.80 RIPK1 (1.00) RIPK1POLBPRMT5WDR77LMNA
SCHEMBL18927573 0.78 RIPK1 (0.61) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18927572 0.77 RIPK1 (0.59) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18927446 0.75 RIPK1 (0.50) RIPK1
SCHEMBL17881970 0.74 RIPK1 (0.71) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL24011067 0.74 RIPK1 (0.68) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17881976 0.73 RIPK1 (1.00) RIPK1
SCHEMBL27504373 0.73 RIPK1 (0.66) RIPK1
SCHEMBL17881984 0.73 RIPK1 (1.00) RIPK1

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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