SCHEMBL14201153

SCHEMBL14201153

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.34
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

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
SCHEMBL14201181 0.90 RIPK1 (0.33) RIPK1CYP1A2CYP2C19GFERSMN1; SMN2
SCHEMBL14201185 0.90 RIPK1 (0.33) RIPK1CYP1A2CYP2C19GFERSMN1; SMN2
SCHEMBL14201195 0.87 POLB (0.33) RIPK1
SCHEMBL14230199 0.86 RIPK1 (0.45) RIPK1
SCHEMBL14201161 0.85 RIPK1 (0.32) RIPK1CYP1A2CYP2C19GFERSMN1; SMN2
SCHEMBL14201151 0.82 POLB (0.32)
SCHEMBL14200734 0.81 RIPK1 (0.34) RIPK1CYP1A2CYP2C19GFERSMN1; SMN2
SCHEMBL14201179 0.80 S1PR1 (0.33) RIPK1CYP1A2CYP2C19GFERSMN1; SMN2
SCHEMBL14201162 0.80 MLYCD (0.36) RIPK1CYP2C19SMN1; SMN2
SCHEMBL14543465 0.79 RIPK1 (0.35) 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 4 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
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed