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SCHEMBL14201181

SCHEMBL14201181

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL14201161 0.90 RIPK1 (0.32) RIPK1CYP1A2CYP2C19GFERSMN1; SMN2
SCHEMBL14201153 0.90 RIPK1 (0.34) RIPK1CYP1A2CYP2C19GFERSMN1; SMN2
SCHEMBL14229011 0.87 RIPK1 (0.43) RIPK1
SCHEMBL14201151 0.87 POLB (0.32) —
SCHEMBL14201185 0.85 RIPK1 (0.33) RIPK1CYP1A2CYP2C19GFERSMN1; SMN2
SCHEMBL14201195 0.82 POLB (0.33) RIPK1LMNA
SCHEMBL14200889 0.82 HDAC8 (0.33) RIPK1
SCHEMBL14201194 0.82 S1PR1 (0.32) CYP1A2CYP2C19GFERSMN1; SMN2MMP13
SCHEMBL14230059 0.80 SMN1; SMN2 (0.33) CYP1A2CYP2C19GFERSMN1; SMN2MMP13
SCHEMBL14543466 0.80 RIPK1 (0.34) RIPK1CYP1A2CYP2C19GFERSMN1; SMN2

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-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 — — US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 — — US disclosed