Sugi Predict

Sugi Predict / Compounds / SCHEMBL14200734

SCHEMBL14200734

SCHEMBL14200734

CCC(CC)N(C(=O)CC(C)(C)C)c1ccc(F)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.34
▸ KCNQ3 O43525 3/20 0.33
▸ KCNQ2 O43526 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL14543465 0.90 RIPK1 (0.35) RIPK1CYP1A2CYP2C19GFERSMN1; SMN2
SCHEMBL14200835 0.90 RIPK1 (0.33) RIPK1KCNQ3KCNQ2
SCHEMBL14200889 0.90 HDAC8 (0.33) RIPK1KCNQ3KCNQ2
SCHEMBL14200887 0.87 POLB (0.33) —
SCHEMBL14200498 0.86 RIPK1 (0.39) RIPK1
SCHEMBL14200486 0.85 ALDH1A1 (0.44) SMN1; SMN2
SCHEMBL14201033 0.85 IDO1 (0.33) RIPK1CYP1A2CYP2C19
SCHEMBL14200779 0.85 PSEN1 (0.32) RIPK1
SCHEMBL14201008 0.84 CHRNA1 (0.37) CYP1A2CYP2C19SMN1; SMN2
SCHEMBL14230199 0.84 RIPK1 (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 — — US disclosed
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 — — US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 — — US disclosed