SCHEMBL14201161

SCHEMBL14201161

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.32
S1PR1 P21453 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
GFER P55789 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL14201151 0.92 POLB (0.32)
SCHEMBL14201185 0.90 RIPK1 (0.33) RIPK1S1PR1CYP1A2CYP2C19GFER
SCHEMBL14201181 0.90 RIPK1 (0.33) RIPK1CYP1A2CYP2C19GFERSMN1; SMN2
SCHEMBL14201193 0.88 RIPK1 (0.36) RIPK1GAA
SCHEMBL14229003 0.88 RIPK1 (0.41) RIPK1S1PR1
SCHEMBL14201195 0.85 POLB (0.33) RIPK1
SCHEMBL14201153 0.85 RIPK1 (0.34) RIPK1CYP1A2CYP2C19GFERSMN1; SMN2
SCHEMBL14201160 0.83 S1PR1 (0.33) S1PR1CYP1A2CYP2C19GFERSMN1; SMN2
SCHEMBL14200779 0.83 PSEN1 (0.32) RIPK1
SCHEMBL14229510 0.81 MEN1 (0.34) S1PR1CYP1A2CYP2C19GFERSMN1; 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